General Information of the Compound
Compound ID
CP0036229
Compound Name
2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
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Synonyms
1,5,6,7-Tetrahydro-2-(4-pyridinyl)-4H-pyrrolo[3,2-c]pyridin-4-one
2-Pyridin-4-yl-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one
2651AH
845714-00-3
AKOS026674124
BCP02855
BDBM27344
CAY10572(PHA-767491)
CHEBI:95058
CHEMBL225519
CS-1208
CTK8F8505
Cdc7/Cdk9 Inhibitor
DTXSID50471069
GTPL8763
HMS3229B21
HMS3656P19
JMC502647 Compound 8
Kinome_2973
MLS006011036
MolPort-009-019-436
PHA 767491
PHA-767491
PHA-767491 (CAY10572)
PHA-767491A
PHA767491
Pyrrolopyridinone, 1
SB19465
SCHEMBL4767679
ZINC16052718
s2742
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Structure
Formula
C12H11N3O
Molecular Weight
213.24
Canonical SMILES
O=C1NCCc2[nH]c(cc12)-c1ccncc1
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InChI
InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
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InChIKey
DKXHSOUZPMHNIZ-UHFFFAOYSA-N
Physicochemical Property
logP
1.3626
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 11715767
SID: 24434367
ChEMBL ID
CHEMBL225519
DrugBank ID
DB17043
Clinical Information about the Compound
Drug 1 ( PHA-767491 )
Drug Name PHA-767491
Target(s)
CDC7-related kinase (CDC7)
 Target Info 
Modulator