8-[4-[(4-fluoro-3-hydroxypiperidin-1-yl)methyl]cyclohexyl]-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C28H32F5N5O2 — CID 177360299

IUPAC8-[4-[(4-fluoro-3-hydroxypiperidin-1-yl)methyl]cyclohexyl]-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESC[C@@H](NC(=O)c1cc(C2CCC(CN3CCC(F)C(O)C3)CC2)c2ncnn2c1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C28H32F5N5O2/c1-16(20-3-2-4-22(25(20)30)28(31,32)33)36-27(40)19-11-21(26-34-15-35-38(26)13-19)18-7-5-17(6-8-18)12-37-10-9-23(29)24(39)14-37/h2-4,11,13,15-18,23-24,39H,5-10,12,14H2,1H3,(H,36,40)/t16-,17?,18?,23?,24?/m1/s1
InChIKeyLGHVTBANSUGCNM-WQCQQAOBSA-N
MW565.59 g/mol
LogP5.06
Rot. Bonds6

About 8-[4-[(4-fluoro-3-hydroxypiperidin-1-yl)methyl]cyclohexyl]-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

8-[4-[(4-fluoro-3-hydroxypiperidin-1-yl)methyl]cyclohexyl]-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 177360299) has the molecular formula C28H32F5N5O2 and a molecular weight of 565.59 g/mol. Its IUPAC name is 8-[4-[(4-fluoro-3-hydroxypiperidin-1-yl)methyl]cyclohexyl]-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-[4-[(4-fluoro-3-hydroxypiperidin-1-yl)methyl]cyclohexyl]-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID177360299
Molecular FormulaC28H32F5N5O2
Molecular Weight565.59 g/mol
Exact Mass565.25
IUPAC Name8-[4-[(4-fluoro-3-hydroxypiperidin-1-yl)methyl]cyclohexyl]-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESC[C@@H](NC(=O)c1cc(C2CCC(CN3CCC(F)C(O)C3)CC2)c2ncnn2c1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C28H32F5N5O2/c1-16(20-3-2-4-22(25(20)30)28(31,32)33)36-27(40)19-11-21(26-34-15-35-38(26)13-19)18-7-5-17(6-8-18)12-37-10-9-23(29)24(39)14-37/h2-4,11,13,15-18,23-24,39H,5-10,12,14H2,1H3,(H,36,40)/t16-,17?,18?,23?,24?/m1/s1
InChIKeyLGHVTBANSUGCNM-WQCQQAOBSA-N
XLogP5.06
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.59
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-[4-[(4-fluoro-3-hydroxypiperidin-1-yl)methyl]cyclohexyl]-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-[4-[1-(hydroxymethyl)-4-methyl-2-azabicyclo[2.1.1]hexan-2-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 177360275
N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-8-[4-[(3R)-3-methoxypyrrolidin-1-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 177295196
1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-3-(2-pyrimidin-2-ylpyrazol-3-yl)urea
CID 167835640
N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide
CID 175949853
N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-7-methoxy-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 164919205
3-(2,5-dioxopyrrolidin-1-yl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 154775116
8-bromo-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 177360304
(2R)-2-cyclopropyl-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide
CID 177158056
N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide
CID 58998959
1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 70760706
2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol
CID 67533716
1-[4-[4-[[(1R)-1-[3-(1,1-difluoro-2-hydroxy-2-methylpropyl)-2-fluorophenyl]ethyl]amino]-7-methoxypyrido[2,3-d]pyrimidin-6-yl]piperidin-1-yl]-2-hydroxyethanone
CID 164918570

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(4-fluoro-3-hydroxypiperidin-1-yl)methyl]cyclohexyl]-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 8-[4-[(4-fluoro-3-hydroxypiperidin-1-yl)methyl]cyclohexyl]-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 177360299) is 8-[4-[(4-fluoro-3-hydroxypiperidin-1-yl)methyl]cyclohexyl]-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-[4-[(4-fluoro-3-hydroxypiperidin-1-yl)methyl]cyclohexyl]-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 8-[4-[(4-fluoro-3-hydroxypiperidin-1-yl)methyl]cyclohexyl]-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is C[C@@H](NC(=O)c1cc(C2CCC(CN3CCC(F)C(O)C3)CC2)c2ncnn2c1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 8-[4-[(4-fluoro-3-hydroxypiperidin-1-yl)methyl]cyclohexyl]-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is LGHVTBANSUGCNM-WQCQQAOBSA-N. The full InChI is InChI=1S/C28H32F5N5O2/c1-16(20-3-2-4-22(25(20)30)28(31,32)33)36-27(40)19-11-21(26-34-15-35-38(26)13-19)18-7-5-17(6-8-18)12-37-10-9-23(29)24(39)14-37/h2-4,11,13,15-18,23-24,39H,5-10,12,14H2,1H3,(H,36,40)/t16-,17?,18?,23?,24?/m1/s1.
What are the key properties of 8-[4-[(4-fluoro-3-hydroxypiperidin-1-yl)methyl]cyclohexyl]-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
8-[4-[(4-fluoro-3-hydroxypiperidin-1-yl)methyl]cyclohexyl]-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 565.59 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(4-fluoro-3-hydroxypiperidin-1-yl)methyl]cyclohexyl]-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 177360299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).