(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone

C21H24N4O — CID 97118979

IUPAC(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC[C@H]2CCc2ccccc2)cnc2ccnn12
InChIInChI=1S/C21H24N4O/c1-16-19(15-22-20-12-13-23-25(16)20)21(26)24-14-6-5-9-18(24)11-10-17-7-3-2-4-8-17/h2-4,7-8,12-13,15,18H,5-6,9-11,14H2,1H3/t18-/m0/s1
InChIKeyMXRJGJKJYSIMNQ-SFHVURJKSA-N
MW348.45 g/mol
LogP3.67
Rot. Bonds4

About (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone

(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 97118979) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID97118979
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC[C@H]2CCc2ccccc2)cnc2ccnn12
InChIInChI=1S/C21H24N4O/c1-16-19(15-22-20-12-13-23-25(16)20)21(26)24-14-6-5-9-18(24)11-10-17-7-3-2-4-8-17/h2-4,7-8,12-13,15,18H,5-6,9-11,14H2,1H3/t18-/m0/s1
InChIKeyMXRJGJKJYSIMNQ-SFHVURJKSA-N
XLogP3.67
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97118978
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 118763717
[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 70764538
(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97084722
(2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97207141
3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97247319
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124994004
[(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 97127200
1-methyl-5-[(2R)-2-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-one
CID 97084725
(4-chloro-1-methylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97119632
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96576779
[(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone
CID 95861478

Frequently Asked Questions

What is the IUPAC name of (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone (CID 97118979) is (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCCC[C@H]2CCc2ccccc2)cnc2ccnn12.
What is the InChIKey of (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is MXRJGJKJYSIMNQ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-19(15-22-20-12-13-23-25(16)20)21(26)24-14-6-5-9-18(24)11-10-17-7-3-2-4-8-17/h2-4,7-8,12-13,15,18H,5-6,9-11,14H2,1H3/t18-/m0/s1.
What are the key properties of (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone?
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97118979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).