4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

C15H17ClN4O — CID 171388836

IUPAC4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCCn1nc2c(c1C)C(c1ccc(Cl)cn1)CC(=O)N2
InChIInChI=1S/C15H17ClN4O/c1-3-6-20-9(2)14-11(7-13(21)18-15(14)19-20)12-5-4-10(16)8-17-12/h4-5,8,11H,3,6-7H2,1-2H3,(H,18,19,21)
InChIKeyVWDIRIOQVFSRIC-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.12
Rot. Bonds3

About 4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 171388836) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID171388836
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCCn1nc2c(c1C)C(c1ccc(Cl)cn1)CC(=O)N2
InChIInChI=1S/C15H17ClN4O/c1-3-6-20-9(2)14-11(7-13(21)18-15(14)19-20)12-5-4-10(16)8-17-12/h4-5,8,11H,3,6-7H2,1-2H3,(H,18,19,21)
InChIKeyVWDIRIOQVFSRIC-UHFFFAOYSA-N
XLogP3.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one with MolForge

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Related Compounds

(4S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 136737658
(4R)-3-methyl-2-propyl-4-quinolin-8-yl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 136907532
4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169418395
(4R)-4-(4-aminocyclohexyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 137241535
(4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 136907611
[4-[(4S)-2-ethyl-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-4-yl]-2,6-dimethylphenyl] acetate
CID 136713782
(4S)-2-benzyl-4-(2-hydroxy-5-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 136820739
3-(4-chlorophenyl)-4-(4-ethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135620687
(4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136759813
13-(1-ethylimidazol-4-yl)-4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-11-one
CID 169416359
N-methyl-4-[(4R)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzenesulfonamide
CID 136820635
(4R)-4-(2,4-dichlorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826052

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (CID 171388836) is 4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is CCCn1nc2c(c1C)C(c1ccc(Cl)cn1)CC(=O)N2.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is VWDIRIOQVFSRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-3-6-20-9(2)14-11(7-13(21)18-15(14)19-20)12-5-4-10(16)8-17-12/h4-5,8,11H,3,6-7H2,1-2H3,(H,18,19,21).
What are the key properties of 4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 304.78 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 171388836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).