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

C18H13ClN4O2 — CID 70925382

IUPAC5-(4-chloro-2-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cc(Cl)ccc1-c1cc(=O)n2[nH]cc(-c3ccccn3)c2n1
InChIInChI=1S/C18H13ClN4O2/c1-25-16-8-11(19)5-6-12(16)15-9-17(24)23-18(22-15)13(10-21-23)14-4-2-3-7-20-14/h2-10,21H,1H3
InChIKeyKIPGSOXLHYZVAU-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.41
Rot. Bonds3

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

5-(4-chloro-2-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925382) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 5-(4-chloro-2-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(4-chloro-2-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925382
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC Name5-(4-chloro-2-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cc(Cl)ccc1-c1cc(=O)n2[nH]cc(-c3ccccn3)c2n1
InChIInChI=1S/C18H13ClN4O2/c1-25-16-8-11(19)5-6-12(16)15-9-17(24)23-18(22-15)13(10-21-23)14-4-2-3-7-20-14/h2-10,21H,1H3
InChIKeyKIPGSOXLHYZVAU-UHFFFAOYSA-N
XLogP3.41
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(4-chloro-2-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925382) is 5-(4-chloro-2-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(4-chloro-2-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(4-chloro-2-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1cc(Cl)ccc1-c1cc(=O)n2[nH]cc(-c3ccccn3)c2n1.
What is the InChIKey of 5-(4-chloro-2-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KIPGSOXLHYZVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c1-25-16-8-11(19)5-6-12(16)15-9-17(24)23-18(22-15)13(10-21-23)14-4-2-3-7-20-14/h2-10,21H,1H3.
What are the key properties of 5-(4-chloro-2-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(4-chloro-2-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 352.78 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).