1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one

C21H24N4O — CID 92555828

IUPAC1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESCc1cc2nccc([C@H]3CCCCN3C(=O)CCc3ccccc3)n2n1
InChIInChI=1S/C21H24N4O/c1-16-15-20-22-13-12-19(25(20)23-16)18-9-5-6-14-24(18)21(26)11-10-17-7-3-2-4-8-17/h2-4,7-8,12-13,15,18H,5-6,9-11,14H2,1H3/t18-/m1/s1
InChIKeySPYUPSXTGBYTRT-GOSISDBHSA-N
MW348.45 g/mol
LogP3.72
Rot. Bonds4

About 1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one

1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 92555828) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID92555828
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESCc1cc2nccc([C@H]3CCCCN3C(=O)CCc3ccccc3)n2n1
InChIInChI=1S/C21H24N4O/c1-16-15-20-22-13-12-19(25(20)23-16)18-9-5-6-14-24(18)21(26)11-10-17-7-3-2-4-8-17/h2-4,7-8,12-13,15,18H,5-6,9-11,14H2,1H3/t18-/m1/s1
InChIKeySPYUPSXTGBYTRT-GOSISDBHSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 92555831
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
CID 92555819
1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
CID 92585275
1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 110218887
1-(2-benzylpyrrolidin-1-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 46577325
(6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone
CID 110218897
2-(3-methylphenyl)-1-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 92560694
N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247791
1-[(2R)-2-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 158276639
1-[(2S)-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 99768088
2-[(2R)-1-(3-phenylpropanoyl)pyrrolidin-2-yl]-7-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 147074175
1-[(2R)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 125011304

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one (CID 92555828) is 1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one is Cc1cc2nccc([C@H]3CCCCN3C(=O)CCc3ccccc3)n2n1.
What is the InChIKey of 1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is SPYUPSXTGBYTRT-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-15-20-22-13-12-19(25(20)23-16)18-9-5-6-14-24(18)21(26)11-10-17-7-3-2-4-8-17/h2-4,7-8,12-13,15,18H,5-6,9-11,14H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one?
1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 348.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 92555828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).