2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one

C29H20ClN3O — CID 147365910

IUPAC2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCC1=C(c2ccc3ncccc3c2)C(=O)n2nc(-c3cccc(Cl)c3)c(-c3ccccc3)c2C1
InChIInChI=1S/C29H20ClN3O/c1-18-15-25-27(19-7-3-2-4-8-19)28(22-9-5-11-23(30)17-22)32-33(25)29(34)26(18)21-12-13-24-20(16-21)10-6-14-31-24/h2-14,16-17H,15H2,1H3
InChIKeyDIDQVZHBVKRSLX-UHFFFAOYSA-N
MW461.95 g/mol
LogP7.09
Rot. Bonds3

About 2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one

2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one (PubChem CID 147365910) has the molecular formula C29H20ClN3O and a molecular weight of 461.95 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
PubChem CID147365910
Molecular FormulaC29H20ClN3O
Molecular Weight461.95 g/mol
Exact Mass461.13
IUPAC Name2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCC1=C(c2ccc3ncccc3c2)C(=O)n2nc(-c3cccc(Cl)c3)c(-c3ccccc3)c2C1
InChIInChI=1S/C29H20ClN3O/c1-18-15-25-27(19-7-3-2-4-8-19)28(22-9-5-11-23(30)17-22)32-33(25)29(34)26(18)21-12-13-24-20(16-21)10-6-14-31-24/h2-14,16-17H,15H2,1H3
InChIKeyDIDQVZHBVKRSLX-UHFFFAOYSA-N
XLogP7.09
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methoxy-3-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 158391528
3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 152870167
5-(chloromethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 148783799
5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 158881235
5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 153189042
7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one
CID 165103704
methyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate
CID 149298104
6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyridin-7-one
CID 147939125
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
6-(3-methylphenyl)quinoline
CID 4185278
3-(3,6-dihydro-2H-pyran-4-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 147516700
4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 134347318

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one (CID 147365910) is 2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one is CC1=C(c2ccc3ncccc3c2)C(=O)n2nc(-c3cccc(Cl)c3)c(-c3ccccc3)c2C1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one?
The InChIKey is DIDQVZHBVKRSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20ClN3O/c1-18-15-25-27(19-7-3-2-4-8-19)28(22-9-5-11-23(30)17-22)32-33(25)29(34)26(18)21-12-13-24-20(16-21)10-6-14-31-24/h2-14,16-17H,15H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one?
2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one has a molecular weight of 461.95 g/mol, XLogP of 7.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 147365910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).