2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H22N6O — CID 96571659

IUPAC2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN3CCC[C@H](c4nccn4C)C3)cc(=O)n2[nH]1
InChIInChI=1S/C17H22N6O/c1-12-8-15-19-14(9-16(24)23(15)20-12)11-22-6-3-4-13(10-22)17-18-5-7-21(17)2/h5,7-9,13,20H,3-4,6,10-11H2,1-2H3/t13-/m0/s1
InChIKeyIQIMZTZDMAKHGK-ZDUSSCGKSA-N
MW326.40 g/mol
LogP1.44
Rot. Bonds3

About 2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 96571659) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID96571659
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN3CCC[C@H](c4nccn4C)C3)cc(=O)n2[nH]1
InChIInChI=1S/C17H22N6O/c1-12-8-15-19-14(9-16(24)23(15)20-12)11-22-6-3-4-13(10-22)17-18-5-7-21(17)2/h5,7-9,13,20H,3-4,6,10-11H2,1-2H3/t13-/m0/s1
InChIKeyIQIMZTZDMAKHGK-ZDUSSCGKSA-N
XLogP1.44
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 96571660
7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 96582179
2-methyl-4-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 70716382
5-[[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98277430
2-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 91841450
3-(1-methylimidazol-2-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 70754233
5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 95762037
5-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 95554216
5-[[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 135103268
(3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96575384
5-[[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrazol-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid
CID 172911007
(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
CID 96578497

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 96571659) is 2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(CN3CCC[C@H](c4nccn4C)C3)cc(=O)n2[nH]1.
What is the InChIKey of 2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IQIMZTZDMAKHGK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N6O/c1-12-8-15-19-14(9-16(24)23(15)20-12)11-22-6-3-4-13(10-22)17-18-5-7-21(17)2/h5,7-9,13,20H,3-4,6,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 326.40 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 96571659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).