[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone

C20H21FN4O — CID 92733245

IUPAC[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2cccn3c(-c4ccc(F)cc4)nnc23)C1
InChIInChI=1S/C20H21FN4O/c1-13-10-14(2)12-24(11-13)20(26)17-4-3-9-25-18(22-23-19(17)25)15-5-7-16(21)8-6-15/h3-9,13-14H,10-12H2,1-2H3/t13-,14+
InChIKeyFVQZGMUHHIIFKZ-OKILXGFUSA-N
MW352.41 g/mol
LogP3.65
Rot. Bonds2

About [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone

[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone (PubChem CID 92733245) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone.

Molecular Properties

Compound Name[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone
PubChem CID92733245
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2cccn3c(-c4ccc(F)cc4)nnc23)C1
InChIInChI=1S/C20H21FN4O/c1-13-10-14(2)12-24(11-13)20(26)17-4-3-9-25-18(22-23-19(17)25)15-5-7-16(21)8-6-15/h3-9,13-14H,10-12H2,1-2H3/t13-,14+
InChIKeyFVQZGMUHHIIFKZ-OKILXGFUSA-N
XLogP3.65
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone
CID 92733244
3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46367491
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 7989596
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 78589473
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 2336837
3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46367467
N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 2360003
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95976185
1-[2-fluoro-4-(4-fluorophenyl)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118292
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 60563674
[3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-piperazin-1-ylmethanone
CID 84614482
(2-fluoro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 107358377

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone?
The IUPAC name of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone (CID 92733245) is [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone.
What is the SMILES notation for [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone?
The canonical SMILES for [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone is C[C@@H]1C[C@H](C)CN(C(=O)c2cccn3c(-c4ccc(F)cc4)nnc23)C1.
What is the InChIKey of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone?
The InChIKey is FVQZGMUHHIIFKZ-OKILXGFUSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-13-10-14(2)12-24(11-13)20(26)17-4-3-9-25-18(22-23-19(17)25)15-5-7-16(21)8-6-15/h3-9,13-14H,10-12H2,1-2H3/t13-,14+.
What are the key properties of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone?
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone has a molecular weight of 352.41 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone is sourced from PubChem (CID 92733245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).