[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone

C19H15F5N4O — CID 158898127

IUPAC[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
SMILESO=C(c1nnc2ccccn12)N1CCC(c2cc(F)cc(F)c2C(F)(F)F)CC1
InChIInChI=1S/C19H15F5N4O/c20-12-9-13(16(14(21)10-12)19(22,23)24)11-4-7-27(8-5-11)18(29)17-26-25-15-3-1-2-6-28(15)17/h1-3,6,9-11H,4-5,7-8H2
InChIKeyJFCBEMUWSIYQJI-UHFFFAOYSA-N
MW410.35 g/mol
LogP4.05
Rot. Bonds2

About [4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone

[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone (PubChem CID 158898127) has the molecular formula C19H15F5N4O and a molecular weight of 410.35 g/mol. Its IUPAC name is [4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
PubChem CID158898127
Molecular FormulaC19H15F5N4O
Molecular Weight410.35 g/mol
Exact Mass410.12
IUPAC Name[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
SMILESO=C(c1nnc2ccccn12)N1CCC(c2cc(F)cc(F)c2C(F)(F)F)CC1
InChIInChI=1S/C19H15F5N4O/c20-12-9-13(16(14(21)10-12)19(22,23)24)11-4-7-27(8-5-11)18(29)17-26-25-15-3-1-2-6-28(15)17/h1-3,6,9-11H,4-5,7-8H2
InChIKeyJFCBEMUWSIYQJI-UHFFFAOYSA-N
XLogP4.05
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[3-fluoro-2,5-bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 139468252
[4-[2-(difluoromethyl)-3,5-difluorophenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
CID 118489410
N-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 137358387
3-[4-[5-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 118483422
3-[4-[3,5-bis(phosphanyl)-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 170245001
3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 118483432
[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 55818723
[4-[2-(difluoromethyl)-3-fluorophenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
CID 118489411
(3,5-dimethylphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31741749
[5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 71705753
tert-butyl 3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 118483424
CID 175937217
CID 175937217

Frequently Asked Questions

What is the IUPAC name of [4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
The IUPAC name of [4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone (CID 158898127) is [4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone.
What is the SMILES notation for [4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
The canonical SMILES for [4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone is O=C(c1nnc2ccccn12)N1CCC(c2cc(F)cc(F)c2C(F)(F)F)CC1.
What is the InChIKey of [4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
The InChIKey is JFCBEMUWSIYQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5N4O/c20-12-9-13(16(14(21)10-12)19(22,23)24)11-4-7-27(8-5-11)18(29)17-26-25-15-3-1-2-6-28(15)17/h1-3,6,9-11H,4-5,7-8H2.
What are the key properties of [4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone has a molecular weight of 410.35 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone is sourced from PubChem (CID 158898127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).