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

C23H18N4O2 — CID 70925443

IUPAC3-(4-methoxyphenyl)-2-methyl-5-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)[nH]n3c(=O)cc(-c4ccc5ncccc5c4)nc23)cc1
InChIInChI=1S/C23H18N4O2/c1-14-22(15-5-8-18(29-2)9-6-15)23-25-20(13-21(28)27(23)26-14)17-7-10-19-16(12-17)4-3-11-24-19/h3-13,26H,1-2H3
InChIKeyOMLPMYGKWYVGDK-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.22
Rot. Bonds3

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

3-(4-methoxyphenyl)-2-methyl-5-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925443) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-methyl-5-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-methyl-5-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925443
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name3-(4-methoxyphenyl)-2-methyl-5-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)[nH]n3c(=O)cc(-c4ccc5ncccc5c4)nc23)cc1
InChIInChI=1S/C23H18N4O2/c1-14-22(15-5-8-18(29-2)9-6-15)23-25-20(13-21(28)27(23)26-14)17-7-10-19-16(12-17)4-3-11-24-19/h3-13,26H,1-2H3
InChIKeyOMLPMYGKWYVGDK-UHFFFAOYSA-N
XLogP4.22
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-methoxyphenyl)-2-methyl-5-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

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-methyl-5-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-methyl-5-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925443) is 3-(4-methoxyphenyl)-2-methyl-5-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-methyl-5-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-methyl-5-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(C)[nH]n3c(=O)cc(-c4ccc5ncccc5c4)nc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-methyl-5-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OMLPMYGKWYVGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-14-22(15-5-8-18(29-2)9-6-15)23-25-20(13-21(28)27(23)26-14)17-7-10-19-16(12-17)4-3-11-24-19/h3-13,26H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-methyl-5-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(4-methoxyphenyl)-2-methyl-5-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 382.42 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-methyl-5-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).