General Information of the Compound
Compound ID
CP0178624
Compound Name
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]indazole-4-carboxamide
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Synonyms
UNC 1999
UNC-1999
UNC1999
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Structure
Formula
C33H43N7O2
Molecular Weight
569.754
Canonical SMILES
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C
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InChI
InChI=1S/C33H43N7O2/c1-7-8-24-15-23(6)37-33(42)28(24)19-35-32(41)27-16-26(17-30-29(27)20-36-40(30)22(4)5)25-9-10-31(34-18-25)39-13-11-38(12-14-39)21(2)3/h9-10,15-18,20-22H,7-8,11-14,19H2,1-6H3,(H,35,41)(H,37,42)
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InChIKey
DPJNKUOXBZSZAI-UHFFFAOYSA-N
Physicochemical Property
logP
5.08882
Rotatable Bonds
9
Heavy Atom Count
42
Polar Areas
99.15
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
42

"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: 72551585
ChEMBL ID
CHEMBL3414619
Clinical Information about the Compound
Drug 1 ( UNC1999 )
Drug Name UNC1999
Target(s)
Enhancer of zeste homolog 2 (EZH2)
Inhibitor