3-(3-methoxyphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H18N4O2 — CID 172659006

IUPAC3-(3-methoxyphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(-c2c[nH]n3c(=O)cc(CCc4cccnc4)nc23)c1
InChIInChI=1S/C20H18N4O2/c1-26-17-6-2-5-15(10-17)18-13-22-24-19(25)11-16(23-20(18)24)8-7-14-4-3-9-21-12-14/h2-6,9-13,22H,7-8H2,1H3
InChIKeyWYKHZZPHCBFIDA-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.88
Rot. Bonds5

About 3-(3-methoxyphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(3-methoxyphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 172659006) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID172659006
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-(3-methoxyphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(-c2c[nH]n3c(=O)cc(CCc4cccnc4)nc23)c1
InChIInChI=1S/C20H18N4O2/c1-26-17-6-2-5-15(10-17)18-13-22-24-19(25)11-16(23-20(18)24)8-7-14-4-3-9-21-12-14/h2-6,9-13,22H,7-8H2,1H3
InChIKeyWYKHZZPHCBFIDA-UHFFFAOYSA-N
XLogP2.88
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-methoxyphenyl)-5-(2-pyridin-3-ylethyl)-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-(3-methoxyphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(3-methoxyphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 172659006) is 3-(3-methoxyphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(3-methoxyphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1cccc(-c2c[nH]n3c(=O)cc(CCc4cccnc4)nc23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WYKHZZPHCBFIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-26-17-6-2-5-15(10-17)18-13-22-24-19(25)11-16(23-20(18)24)8-7-14-4-3-9-21-12-14/h2-6,9-13,22H,7-8H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(3-methoxyphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 346.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-(2-pyridin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 172659006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).