2-(4-fluorophenyl)-1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone

C20H21FN4O — CID 124972625

IUPAC2-(4-fluorophenyl)-1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone
SMILESCc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2ccnn12
InChIInChI=1S/C20H21FN4O/c1-14-12-17(23-19-9-10-22-25(14)19)18-4-2-3-11-24(18)20(26)13-15-5-7-16(21)8-6-15/h5-10,12,18H,2-4,11,13H2,1H3/t18-/m0/s1
InChIKeyKEMJFBJJVOKJLK-SFHVURJKSA-N
MW352.41 g/mol
LogP3.47
Rot. Bonds3

About 2-(4-fluorophenyl)-1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone (PubChem CID 124972625) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone
PubChem CID124972625
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name2-(4-fluorophenyl)-1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone
SMILESCc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2ccnn12
InChIInChI=1S/C20H21FN4O/c1-14-12-17(23-19-9-10-22-25(14)19)18-4-2-3-11-24(18)20(26)13-15-5-7-16(21)8-6-15/h5-10,12,18H,2-4,11,13H2,1H3/t18-/m0/s1
InChIKeyKEMJFBJJVOKJLK-SFHVURJKSA-N
XLogP3.47
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 110118471
1-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124955277
1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110135353
[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124971823
(4-ethylthiadiazol-5-yl)-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone
CID 124966464
1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 124943238
(6-methoxy-3-pyridinyl)-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone
CID 110118495
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75841513
2-(4-fluorophenyl)-1-[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837862
2-(4-fluorophenyl)-1-[(2R)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95832661
1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 92616786
2-(4-fluorophenyl)-1-[(2S)-2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837864

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone (CID 124972625) is 2-(4-fluorophenyl)-1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone is Cc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2ccnn12.
What is the InChIKey of 2-(4-fluorophenyl)-1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone?
The InChIKey is KEMJFBJJVOKJLK-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-14-12-17(23-19-9-10-22-25(14)19)18-4-2-3-11-24(18)20(26)13-15-5-7-16(21)8-6-15/h5-10,12,18H,2-4,11,13H2,1H3/t18-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone has a molecular weight of 352.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 124972625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).