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

C32H26N6O — CID 134307208

IUPAC3-(cyclohexen-1-yl)-2-phenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccc3ncccc3c2)c(Nc2ccccn2)nc2c(C3=CCCCC3)c(-c3ccccc3)[nH]n12
InChIInChI=1S/C32H26N6O/c39-32-28(24-16-17-25-23(20-24)14-9-19-33-25)30(35-26-15-7-8-18-34-26)36-31-27(21-10-3-1-4-11-21)29(37-38(31)32)22-12-5-2-6-13-22/h2,5-10,12-20,37H,1,3-4,11H2,(H,34,35)
InChIKeyIBBXEPHNPUGEKH-UHFFFAOYSA-N
MW510.60 g/mol
LogP7.00
Rot. Bonds5

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

3-(cyclohexen-1-yl)-2-phenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134307208) has the molecular formula C32H26N6O and a molecular weight of 510.60 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-2-phenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-2-phenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134307208
Molecular FormulaC32H26N6O
Molecular Weight510.60 g/mol
Exact Mass510.22
IUPAC Name3-(cyclohexen-1-yl)-2-phenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccc3ncccc3c2)c(Nc2ccccn2)nc2c(C3=CCCCC3)c(-c3ccccc3)[nH]n12
InChIInChI=1S/C32H26N6O/c39-32-28(24-16-17-25-23(20-24)14-9-19-33-25)30(35-26-15-7-8-18-34-26)36-31-27(21-10-3-1-4-11-21)29(37-38(31)32)22-12-5-2-6-13-22/h2,5-10,12-20,37H,1,3-4,11H2,(H,34,35)
InChIKeyIBBXEPHNPUGEKH-UHFFFAOYSA-N
XLogP7.00
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 57.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(cyclohexen-1-yl)-2-phenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sgi-1027
CID 24858111
(2r)-3-[2-Amino-6-(3-Methylpyridin-2-Yl)quinolin-3-Yl]-N-(3,3-Dimethylbutyl)-2-Methylpropanamide
CID 53465991
3-Amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7-trihydro-3h-cyclopenta[d]pyrimidin-4-one
CID 23155834
6-hydrazino-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]nicotinamide
CID 57340723
B-Cell Immunosuppressant
CID 9797013
3-Amino-6-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-3Hquinazolin-4-one
CID 11374124
3-Amino-8-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-3Hquinazolin-4-one
CID 23155667
3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydro-3h-quinazolin-4-one
CID 23155869
3-Amino-2-[4-[4-(3-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydro-3h-quinazolin-4-one
CID 23155963
N-(2,6-dimethylphenyl)-4-[(4-phenylpyrido[2,3-d]pyrimidin-2-yl)amino]benzamide
CID 44565644
N-[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide
CID 59457983
2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67308147

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-2-phenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(cyclohexen-1-yl)-2-phenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134307208) is 3-(cyclohexen-1-yl)-2-phenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(cyclohexen-1-yl)-2-phenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(cyclohexen-1-yl)-2-phenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1c(-c2ccc3ncccc3c2)c(Nc2ccccn2)nc2c(C3=CCCCC3)c(-c3ccccc3)[nH]n12.
What is the InChIKey of 3-(cyclohexen-1-yl)-2-phenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IBBXEPHNPUGEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N6O/c39-32-28(24-16-17-25-23(20-24)14-9-19-33-25)30(35-26-15-7-8-18-34-26)36-31-27(21-10-3-1-4-11-21)29(37-38(31)32)22-12-5-2-6-13-22/h2,5-10,12-20,37H,1,3-4,11H2,(H,34,35).
What are the key properties of 3-(cyclohexen-1-yl)-2-phenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(cyclohexen-1-yl)-2-phenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 510.60 g/mol, XLogP of 7.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-2-phenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134307208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).