6-(4-methoxyphenyl)-5-methyl-2-phenyl-3-(1H-pyrrol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C24H20N4O2 — CID 134347326

IUPAC6-(4-methoxyphenyl)-5-methyl-2-phenyl-3-(1H-pyrrol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)nc3c(-c4cc[nH]c4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C24H20N4O2/c1-15-20(16-8-10-19(30-2)11-9-16)24(29)28-23(26-15)21(18-12-13-25-14-18)22(27-28)17-6-4-3-5-7-17/h3-14,25,27H,1-2H3
InChIKeyHDSHJEPLLCKYLA-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.67
Rot. Bonds4

About 6-(4-methoxyphenyl)-5-methyl-2-phenyl-3-(1H-pyrrol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(4-methoxyphenyl)-5-methyl-2-phenyl-3-(1H-pyrrol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134347326) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5-methyl-2-phenyl-3-(1H-pyrrol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5-methyl-2-phenyl-3-(1H-pyrrol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134347326
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name6-(4-methoxyphenyl)-5-methyl-2-phenyl-3-(1H-pyrrol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)nc3c(-c4cc[nH]c4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C24H20N4O2/c1-15-20(16-8-10-19(30-2)11-9-16)24(29)28-23(26-15)21(18-12-13-25-14-18)22(27-28)17-6-4-3-5-7-17/h3-14,25,27H,1-2H3
InChIKeyHDSHJEPLLCKYLA-UHFFFAOYSA-N
XLogP4.67
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(4-methoxyphenyl)-5-methyl-2-phenyl-3-(1H-pyrrol-3-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

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-methyl-2-phenyl-3-(1H-pyrrol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(4-methoxyphenyl)-5-methyl-2-phenyl-3-(1H-pyrrol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134347326) is 6-(4-methoxyphenyl)-5-methyl-2-phenyl-3-(1H-pyrrol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-5-methyl-2-phenyl-3-(1H-pyrrol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-5-methyl-2-phenyl-3-(1H-pyrrol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(C)nc3c(-c4cc[nH]c4)c(-c4ccccc4)[nH]n3c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-5-methyl-2-phenyl-3-(1H-pyrrol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HDSHJEPLLCKYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-15-20(16-8-10-19(30-2)11-9-16)24(29)28-23(26-15)21(18-12-13-25-14-18)22(27-28)17-6-4-3-5-7-17/h3-14,25,27H,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-5-methyl-2-phenyl-3-(1H-pyrrol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(4-methoxyphenyl)-5-methyl-2-phenyl-3-(1H-pyrrol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 396.45 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-5-methyl-2-phenyl-3-(1H-pyrrol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134347326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).