[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone

C20H22FN5O — CID 97123200

IUPAC[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)nc2ncnn12
InChIInChI=1S/C20H22FN5O/c1-13(2)18-11-16(24-20-22-12-23-26(18)20)19(27)25-10-4-3-5-17(25)14-6-8-15(21)9-7-14/h6-9,11-13,17H,3-5,10H2,1-2H3/t17-/m1/s1
InChIKeyWYFSDKXACQISFF-QGZVFWFLSA-N
MW367.43 g/mol
LogP3.75
Rot. Bonds3

About [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone

[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone (PubChem CID 97123200) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
PubChem CID97123200
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)nc2ncnn12
InChIInChI=1S/C20H22FN5O/c1-13(2)18-11-16(24-20-22-12-23-26(18)20)19(27)25-10-4-3-5-17(25)14-6-8-15(21)9-7-14/h6-9,11-13,17H,3-5,10H2,1-2H3/t17-/m1/s1
InChIKeyWYFSDKXACQISFF-QGZVFWFLSA-N
XLogP3.75
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70770940
[2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70770427
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 53001446
8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50948165
(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 72859386
[(2S)-2-butyl-2,5-dihydropyrrol-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 95550344
[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 95729352
[2-(4-fluorophenyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70732659
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 32845370
[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95972666
[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 118787753
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?
The IUPAC name of [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone (CID 97123200) is [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone.
What is the SMILES notation for [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?
The canonical SMILES for [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone is CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)nc2ncnn12.
What is the InChIKey of [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?
The InChIKey is WYFSDKXACQISFF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-13(2)18-11-16(24-20-22-12-23-26(18)20)19(27)25-10-4-3-5-17(25)14-6-8-15(21)9-7-14/h6-9,11-13,17H,3-5,10H2,1-2H3/t17-/m1/s1.
What are the key properties of [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?
[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone has a molecular weight of 367.43 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone is sourced from PubChem (CID 97123200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).