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

C20H18N4O2 — CID 98077329

IUPAC2-(4-methoxyphenyl)-3-methyl-5-(6-methyl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2[nH]n3c(=O)cc(-c4ccc(C)nc4)nc3c2C)cc1
InChIInChI=1S/C20H18N4O2/c1-12-4-5-15(11-21-12)17-10-18(25)24-20(22-17)13(2)19(23-24)14-6-8-16(26-3)9-7-14/h4-11,23H,1-3H3
InChIKeyWPWWHPFLDJOAJX-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.38
Rot. Bonds3

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

2-(4-methoxyphenyl)-3-methyl-5-(6-methyl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98077329) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-5-(6-methyl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-5-(6-methyl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98077329
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-(4-methoxyphenyl)-3-methyl-5-(6-methyl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2[nH]n3c(=O)cc(-c4ccc(C)nc4)nc3c2C)cc1
InChIInChI=1S/C20H18N4O2/c1-12-4-5-15(11-21-12)17-10-18(25)24-20(22-17)13(2)19(23-24)14-6-8-16(26-3)9-7-14/h4-11,23H,1-3H3
InChIKeyWPWWHPFLDJOAJX-UHFFFAOYSA-N
XLogP3.38
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-5-(6-methyl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-5-(6-methyl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98077329) is 2-(4-methoxyphenyl)-3-methyl-5-(6-methyl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-5-(6-methyl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-5-(6-methyl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2[nH]n3c(=O)cc(-c4ccc(C)nc4)nc3c2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-5-(6-methyl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WPWWHPFLDJOAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-12-4-5-15(11-21-12)17-10-18(25)24-20(22-17)13(2)19(23-24)14-6-8-16(26-3)9-7-14/h4-11,23H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-5-(6-methyl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(4-methoxyphenyl)-3-methyl-5-(6-methyl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 346.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-5-(6-methyl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98077329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).