3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-pyridin-2-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C29H26N6O2 — CID 134306080

IUPAC3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-pyridin-2-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3ccccn3)nc3c(C4=CCCCC4)c(-c4ccccn4)[nH]n3c2=O)cc1
InChIInChI=1S/C29H26N6O2/c1-37-21-15-13-20(14-16-21)25-27(32-23-12-6-8-18-31-23)33-28-24(19-9-3-2-4-10-19)26(34-35(28)29(25)36)22-11-5-7-17-30-22/h5-9,11-18,34H,2-4,10H2,1H3,(H,31,32)
InChIKeyWPBCAJCXNYYPAS-UHFFFAOYSA-N
MW490.57 g/mol
LogP5.86
Rot. Bonds6

About 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-pyridin-2-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-pyridin-2-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134306080) has the molecular formula C29H26N6O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-pyridin-2-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-pyridin-2-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134306080
Molecular FormulaC29H26N6O2
Molecular Weight490.57 g/mol
Exact Mass490.21
IUPAC Name3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-pyridin-2-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3ccccn3)nc3c(C4=CCCCC4)c(-c4ccccn4)[nH]n3c2=O)cc1
InChIInChI=1S/C29H26N6O2/c1-37-21-15-13-20(14-16-21)25-27(32-23-12-6-8-18-31-23)33-28-24(19-9-3-2-4-10-19)26(34-35(28)29(25)36)22-11-5-7-17-30-22/h5-9,11-18,34H,2-4,10H2,1H3,(H,31,32)
InChIKeyWPBCAJCXNYYPAS-UHFFFAOYSA-N
XLogP5.86
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-pyridin-2-yl-5-(pyridin-2-ylamino)-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

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-pyridin-2-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-pyridin-2-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134306080) is 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-pyridin-2-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-pyridin-2-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-pyridin-2-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(Nc3ccccn3)nc3c(C4=CCCCC4)c(-c4ccccn4)[nH]n3c2=O)cc1.
What is the InChIKey of 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-pyridin-2-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WPBCAJCXNYYPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O2/c1-37-21-15-13-20(14-16-21)25-27(32-23-12-6-8-18-31-23)33-28-24(19-9-3-2-4-10-19)26(34-35(28)29(25)36)22-11-5-7-17-30-22/h5-9,11-18,34H,2-4,10H2,1H3,(H,31,32).
What are the key properties of 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-pyridin-2-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-pyridin-2-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 490.57 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-pyridin-2-yl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134306080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).