5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H20N6O2 — CID 125006285

IUPAC5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc([C@@H]3CCCCN3C(=O)Cn3ccnc3)cc(=O)n2[nH]1
InChIInChI=1S/C17H20N6O2/c1-12-8-15-19-13(9-16(24)23(15)20-12)14-4-2-3-6-22(14)17(25)10-21-7-5-18-11-21/h5,7-9,11,14,20H,2-4,6,10H2,1H3/t14-/m0/s1
InChIKeyYYPHFFIUIAJUDA-AWEZNQCLSA-N
MW340.39 g/mol
LogP1.28
Rot. Bonds3

About 5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 125006285) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID125006285
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc([C@@H]3CCCCN3C(=O)Cn3ccnc3)cc(=O)n2[nH]1
InChIInChI=1S/C17H20N6O2/c1-12-8-15-19-13(9-16(24)23(15)20-12)14-4-2-3-6-22(14)17(25)10-21-7-5-18-11-21/h5,7-9,11,14,20H,2-4,6,10H2,1H3/t14-/m0/s1
InChIKeyYYPHFFIUIAJUDA-AWEZNQCLSA-N
XLogP1.28
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125015027
2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110118335
1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone
CID 126470110
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-imidazol-1-ylethanone
CID 70774951
2-[1-(2-imidazol-1-ylacetyl)pyrrolidin-2-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881461
5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216075
1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone
CID 125012947
tert-butyl 2-(5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 76668485
5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125008686
2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132890
2-methyl-5-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124977155
1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone
CID 136540092

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 125006285) is 5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc([C@@H]3CCCCN3C(=O)Cn3ccnc3)cc(=O)n2[nH]1.
What is the InChIKey of 5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YYPHFFIUIAJUDA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12-8-15-19-13(9-16(24)23(15)20-12)14-4-2-3-6-22(14)17(25)10-21-7-5-18-11-21/h5,7-9,11,14,20H,2-4,6,10H2,1H3/t14-/m0/s1.
What are the key properties of 5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 340.39 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 125006285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).