General Information of the Compound
Compound ID
CP0663326
Compound Name
N-cyclopentyl-3-(3-cyclopropyl-1H-pyrazol-4-yl)-5H-pyrrolo[3,4-b]pyridine-6(7H)-carboxamide
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Structure
Formula
C19H23N5O
Molecular Weight
337.427
Canonical SMILES
O=C(NC1CCCC1)N1Cc2cc(-c3c[nH]nc3C3CC3)cnc2C1
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InChI
InChI=1S/C19H23N5O/c25-19(22-15-3-1-2-4-15)24-10-14-7-13(8-20-17(14)11-24)16-9-21-23-18(16)12-5-6-12/h7-9,12,15H,1-6,10-11H2,(H,21,23)(H,22,25)
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InChIKey
JYCOGWKRSNILED-UHFFFAOYSA-N
Physicochemical Property
logP
3.3169
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
73.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 60167934
SID: 144116999
ChEMBL ID
CHEMBL3134496