5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H11ClN4O — CID 70925438

IUPAC5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccn3)c[nH]n12
InChIInChI=1S/C17H11ClN4O/c18-12-6-4-11(5-7-12)15-9-16(23)22-17(21-15)13(10-20-22)14-3-1-2-8-19-14/h1-10,20H
InChIKeyJGJKXZDUGMLJOC-UHFFFAOYSA-N
MW322.76 g/mol
LogP3.40
Rot. Bonds2

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

5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925438) has the molecular formula C17H11ClN4O and a molecular weight of 322.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925438
Molecular FormulaC17H11ClN4O
Molecular Weight322.76 g/mol
Exact Mass322.06
IUPAC Name5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccn3)c[nH]n12
InChIInChI=1S/C17H11ClN4O/c18-12-6-4-11(5-7-12)15-9-16(23)22-17(21-15)13(10-20-22)14-3-1-2-8-19-14/h1-10,20H
InChIKeyJGJKXZDUGMLJOC-UHFFFAOYSA-N
XLogP3.40
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925438) is 5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccn3)c[nH]n12.
What is the InChIKey of 5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JGJKXZDUGMLJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O/c18-12-6-4-11(5-7-12)15-9-16(23)22-17(21-15)13(10-20-22)14-3-1-2-8-19-14/h1-10,20H.
What are the key properties of 5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 322.76 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).