5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H22N6O — CID 92603065

IUPAC5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(C)n(C(c2cc(=O)n3[nH]c(-c4ccccn4)cc3n2)C(C)C)n1
InChIInChI=1S/C20H22N6O/c1-12(2)20(25-14(4)9-13(3)23-25)17-11-19(27)26-18(22-17)10-16(24-26)15-7-5-6-8-21-15/h5-12,20,24H,1-4H3
InChIKeyKNCLUVKRUUEPCK-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.14
Rot. Bonds4

About 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 92603065) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID92603065
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(C)n(C(c2cc(=O)n3[nH]c(-c4ccccn4)cc3n2)C(C)C)n1
InChIInChI=1S/C20H22N6O/c1-12(2)20(25-14(4)9-13(3)23-25)17-11-19(27)26-18(22-17)10-16(24-26)15-7-5-6-8-21-15/h5-12,20,24H,1-4H3
InChIKeyKNCLUVKRUUEPCK-UHFFFAOYSA-N
XLogP3.14
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(4-methylphenyl)acetamide
CID 92557803
N-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(4-methylphenyl)acetamide
CID 110239187
N-[(1R)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(2-methylphenyl)acetamide
CID 92561990
N-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 110239191
2-(2-methoxyphenyl)-N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]acetamide
CID 92578696
5-(1-methylpyrazol-4-yl)-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92567025
N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]-2-pyridin-2-yloxyacetamide
CID 92555696
5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 86164563
2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 2818800
2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123610819
2-(oxan-4-yl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92577551
5-(cyclopentanecarbonyl)-11-pyridin-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 98075145

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 92603065) is 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(C)n(C(c2cc(=O)n3[nH]c(-c4ccccn4)cc3n2)C(C)C)n1.
What is the InChIKey of 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KNCLUVKRUUEPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-12(2)20(25-14(4)9-13(3)23-25)17-11-19(27)26-18(22-17)10-16(24-26)15-7-5-6-8-21-15/h5-12,20,24H,1-4H3.
What are the key properties of 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 362.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 92603065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).