7-[3-(4-chlorophenyl)propanoyl]-3-pyridin-4-yl-5,6-dihydro-2H-pyrazolo[3,4-b]pyridin-4-one

C20H17ClN4O2 — CID 168678872

IUPAC7-[3-(4-chlorophenyl)propanoyl]-3-pyridin-4-yl-5,6-dihydro-2H-pyrazolo[3,4-b]pyridin-4-one
SMILESO=C1CCN(C(=O)CCc2ccc(Cl)cc2)c2n[nH]c(-c3ccncc3)c21
InChIInChI=1S/C20H17ClN4O2/c21-15-4-1-13(2-5-15)3-6-17(27)25-12-9-16(26)18-19(23-24-20(18)25)14-7-10-22-11-8-14/h1-2,4-5,7-8,10-11H,3,6,9,12H2,(H,23,24)
InChIKeyGWKAAOLWDQMEIR-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.68
Rot. Bonds4

About 7-[3-(4-chlorophenyl)propanoyl]-3-pyridin-4-yl-5,6-dihydro-2H-pyrazolo[3,4-b]pyridin-4-one

7-[3-(4-chlorophenyl)propanoyl]-3-pyridin-4-yl-5,6-dihydro-2H-pyrazolo[3,4-b]pyridin-4-one (PubChem CID 168678872) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 7-[3-(4-chlorophenyl)propanoyl]-3-pyridin-4-yl-5,6-dihydro-2H-pyrazolo[3,4-b]pyridin-4-one.

Molecular Properties

Compound Name7-[3-(4-chlorophenyl)propanoyl]-3-pyridin-4-yl-5,6-dihydro-2H-pyrazolo[3,4-b]pyridin-4-one
PubChem CID168678872
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name7-[3-(4-chlorophenyl)propanoyl]-3-pyridin-4-yl-5,6-dihydro-2H-pyrazolo[3,4-b]pyridin-4-one
SMILESO=C1CCN(C(=O)CCc2ccc(Cl)cc2)c2n[nH]c(-c3ccncc3)c21
InChIInChI=1S/C20H17ClN4O2/c21-15-4-1-13(2-5-15)3-6-17(27)25-12-9-16(26)18-19(23-24-20(18)25)14-7-10-22-11-8-14/h1-2,4-5,7-8,10-11H,3,6,9,12H2,(H,23,24)
InChIKeyGWKAAOLWDQMEIR-UHFFFAOYSA-N
XLogP3.68
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[3-(4-chlorophenyl)propanoyl]-3-pyridin-4-yl-5,6-dihydro-2H-pyrazolo[3,4-b]pyridin-4-one with MolForge

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Related Compounds

3-(4-chlorophenyl)-1-(3-pyridazin-4-yl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-7-yl)propan-1-one
CID 168678856
3-(6-chloro-5-fluoro-3-pyridinyl)-1-(3-pyridin-4-yl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-7-yl)propan-1-one
CID 168678866
3-(6-chloro-3-pyridinyl)-1-(4-hydroxy-3-pyridin-4-yl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-7-yl)propan-1-one
CID 168678875
sodium 4-[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoate
CID 139926086
3-(4-chlorophenyl)-N-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 169305452
(3S)-4-[3-(4-chlorophenyl)propanoyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 125011929
4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide
CID 22037760
N-[3-(4-chlorophenyl)propanoyl]-2-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 169305418
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
3-[3-(4-chlorophenyl)propanoylamino]-N,N-dimethyl-5-pyridin-4-yl-1H-pyrazole-4-carboxamide
CID 166581204
2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline
CID 22953665

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-chlorophenyl)propanoyl]-3-pyridin-4-yl-5,6-dihydro-2H-pyrazolo[3,4-b]pyridin-4-one?
The IUPAC name of 7-[3-(4-chlorophenyl)propanoyl]-3-pyridin-4-yl-5,6-dihydro-2H-pyrazolo[3,4-b]pyridin-4-one (CID 168678872) is 7-[3-(4-chlorophenyl)propanoyl]-3-pyridin-4-yl-5,6-dihydro-2H-pyrazolo[3,4-b]pyridin-4-one.
What is the SMILES notation for 7-[3-(4-chlorophenyl)propanoyl]-3-pyridin-4-yl-5,6-dihydro-2H-pyrazolo[3,4-b]pyridin-4-one?
The canonical SMILES for 7-[3-(4-chlorophenyl)propanoyl]-3-pyridin-4-yl-5,6-dihydro-2H-pyrazolo[3,4-b]pyridin-4-one is O=C1CCN(C(=O)CCc2ccc(Cl)cc2)c2n[nH]c(-c3ccncc3)c21.
What is the InChIKey of 7-[3-(4-chlorophenyl)propanoyl]-3-pyridin-4-yl-5,6-dihydro-2H-pyrazolo[3,4-b]pyridin-4-one?
The InChIKey is GWKAAOLWDQMEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c21-15-4-1-13(2-5-15)3-6-17(27)25-12-9-16(26)18-19(23-24-20(18)25)14-7-10-22-11-8-14/h1-2,4-5,7-8,10-11H,3,6,9,12H2,(H,23,24).
What are the key properties of 7-[3-(4-chlorophenyl)propanoyl]-3-pyridin-4-yl-5,6-dihydro-2H-pyrazolo[3,4-b]pyridin-4-one?
7-[3-(4-chlorophenyl)propanoyl]-3-pyridin-4-yl-5,6-dihydro-2H-pyrazolo[3,4-b]pyridin-4-one has a molecular weight of 380.84 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-chlorophenyl)propanoyl]-3-pyridin-4-yl-5,6-dihydro-2H-pyrazolo[3,4-b]pyridin-4-one is sourced from PubChem (CID 168678872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).