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

C29H25N3O — CID 152870167

IUPAC3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCC1=C(c2ccc3ncccc3c2)C(=O)n2nc(-c3ccccc3)c(C3=CCCCC3)c2C1
InChIInChI=1S/C29H25N3O/c1-19-17-25-27(20-9-4-2-5-10-20)28(21-11-6-3-7-12-21)31-32(25)29(33)26(19)23-14-15-24-22(18-23)13-8-16-30-24/h3,6-9,11-16,18H,2,4-5,10,17H2,1H3
InChIKeyTZGDJFORNDLIJZ-UHFFFAOYSA-N
MW431.54 g/mol
LogP6.73
Rot. Bonds3

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

3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one (PubChem CID 152870167) has the molecular formula C29H25N3O and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
PubChem CID152870167
Molecular FormulaC29H25N3O
Molecular Weight431.54 g/mol
Exact Mass431.20
IUPAC Name3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCC1=C(c2ccc3ncccc3c2)C(=O)n2nc(-c3ccccc3)c(C3=CCCCC3)c2C1
InChIInChI=1S/C29H25N3O/c1-19-17-25-27(20-9-4-2-5-10-20)28(21-11-6-3-7-12-21)31-32(25)29(33)26(19)23-14-15-24-22(18-23)13-8-16-30-24/h3,6-9,11-16,18H,2,4-5,10,17H2,1H3
InChIKeyTZGDJFORNDLIJZ-UHFFFAOYSA-N
XLogP6.73
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 158881235
2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 147365910
2-(6-methoxy-3-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 158391528
5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 153189042
5-(chloromethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 148783799
3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307487
7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one
CID 165103704
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
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
3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one
CID 152925158
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
5-methyl-3-(3-oxocyclohexen-1-yl)-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134347332

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one?
The IUPAC name of 3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one (CID 152870167) is 3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one.
What is the SMILES notation for 3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one?
The canonical SMILES for 3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one is CC1=C(c2ccc3ncccc3c2)C(=O)n2nc(-c3ccccc3)c(C3=CCCCC3)c2C1.
What is the InChIKey of 3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one?
The InChIKey is TZGDJFORNDLIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O/c1-19-17-25-27(20-9-4-2-5-10-20)28(21-11-6-3-7-12-21)31-32(25)29(33)26(19)23-14-15-24-22(18-23)13-8-16-30-24/h3,6-9,11-16,18H,2,4-5,10,17H2,1H3.
What are the key properties of 3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one?
3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one has a molecular weight of 431.54 g/mol, XLogP of 6.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 152870167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).