General Information of the Compound
Compound ID
CP0231640
Compound Name
US8653111, 72
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Synonyms
1-(6-morpholinopyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol
1154028-82-6
2-(6-(Morpholin-4-yl)pyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one
2-(6-Morpholin-4-Ylpyrimidin-4-Yl)-4-(1,2,3-Triazol-1-Yl)-1~{h}-Pyrazol-3-One
2-(6-Morpholin-4-ylpyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one
2-(6-Morpholinopyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-3(2H)-one
2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol
2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one
2-[6-(4-Morpholinyl)-4-pyrimidinyl]-4-(1H-1,2,3-triazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one
2-[6-(morpholin-4-yl)pyrimidin-4-yl]-4-(1H-1,2,3-triazol-1-yl)-2,3-dihydro-1H-pyrazol-3-one
3H-Pyrazol-3-one, 1,2-dihydro-2-[6-(4-morpholinyl)-4-pyrimidinyl]-4-(1H-1,2,3-triazol-1-yl)-
9JH486CZ13
A14404
A1H
AK323698
AKOS026750584
AOB87194
AS-74456
B5861
BAY 85-3934
BAY 85-3934;BAY-85-3934
BAY 853934
BAY-853934
BAY85-3934
BAY853934
BCP14477
BDBM118339
CCG-267626
CHEMBL3646118
CHEMBL3991036
DB-092822
DTXSID80151089
EX-A562
GTPL8456
HY-12654
MFCD28411428
Molidustat
Molidustat (BAY 85-3934)
Molidustat (BAY85-3934)
Molidustat [INN]
Molidustat(BAY 85-3934)
Molidustat(BAY85-3934)
Molidustat;BAY 85-3934;BAY-85-3934
NCGC00388364-04
OC1=C(N2N=NC=C2)C=NN1C(N=CN=1)=CC=1N1CCOCC1
Q27087553
QC-11791
QEQ
S8138
SB17156
SCHEMBL2569970
SCHEMBL6114312
UNII-9JH486CZ13
US8653111, 72
ZINC167006010
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Structure
Formula
C13H14N8O2
Molecular Weight
314.309
Canonical SMILES
O=c1c(c[nH]n1-c1cc(ncn1)N1CCOCC1)-n1ccnn1
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InChI
InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2
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InChIKey
IJMBOKOTALXLKS-UHFFFAOYSA-N
CAS
1154028-82-6
Physicochemical Property
logP
-0.6271
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
106.75
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Complexity
23

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 59603622
SID: 163441143
ChEMBL ID
CHEMBL3646118
DrugBank ID
DB15642
Clinical Information about the Compound
Drug 1 ( BAY 853934 )
Drug Name BAY 853934
Company Bayer
Indication
Anaemia
Phase 3