5-methyl-2-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H14N4O — CID 164624844

IUPAC5-methyl-2-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccccc3)c(-c3ccccn3)c2n1
InChIInChI=1S/C18H14N4O/c1-12-11-15(23)22-18(20-12)16(14-9-5-6-10-19-14)17(21-22)13-7-3-2-4-8-13/h2-11,21H,1H3
InChIKeyXKRDPTZSDUKDMY-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.06
Rot. Bonds2

About 5-methyl-2-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-2-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 164624844) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-methyl-2-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID164624844
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name5-methyl-2-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccccc3)c(-c3ccccn3)c2n1
InChIInChI=1S/C18H14N4O/c1-12-11-15(23)22-18(20-12)16(14-9-5-6-10-19-14)17(21-22)13-7-3-2-4-8-13/h2-11,21H,1H3
InChIKeyXKRDPTZSDUKDMY-UHFFFAOYSA-N
XLogP3.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 164624844) is 5-methyl-2-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(-c3ccccc3)c(-c3ccccn3)c2n1.
What is the InChIKey of 5-methyl-2-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XKRDPTZSDUKDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-12-11-15(23)22-18(20-12)16(14-9-5-6-10-19-14)17(21-22)13-7-3-2-4-8-13/h2-11,21H,1H3.
What are the key properties of 5-methyl-2-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 302.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 164624844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).