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

C28H33F3N6O2 — CID 177360275

IUPACN-[(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
SMILESC[C@@H](NC(=O)c1cc(N2CCC(N3CC4(C)CC3(CO)C4)CC2)c2ncnn2c1)c1cccc(C(F)F)c1F
InChIInChI=1S/C28H33F3N6O2/c1-17(20-4-3-5-21(23(20)29)24(30)31)34-26(39)18-10-22(25-32-16-33-37(25)11-18)35-8-6-19(7-9-35)36-14-27(2)12-28(36,13-27)15-38/h3-5,10-11,16-17,19,24,38H,6-9,12-15H2,1-2H3,(H,34,39)/t17-,27?,28?/m1/s1
InChIKeyQWRNPMLHYMURAX-ZRBSRWLZSA-N
MW542.61 g/mol
LogP4.11
Rot. Bonds7

About 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

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 (PubChem CID 177360275) has the molecular formula C28H33F3N6O2 and a molecular weight of 542.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID177360275
Molecular FormulaC28H33F3N6O2
Molecular Weight542.61 g/mol
Exact Mass542.26
IUPAC NameN-[(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
SMILESC[C@@H](NC(=O)c1cc(N2CCC(N3CC4(C)CC3(CO)C4)CC2)c2ncnn2c1)c1cccc(C(F)F)c1F
InChIInChI=1S/C28H33F3N6O2/c1-17(20-4-3-5-21(23(20)29)24(30)31)34-26(39)18-10-22(25-32-16-33-37(25)11-18)35-8-6-19(7-9-35)36-14-27(2)12-28(36,13-27)15-38/h3-5,10-11,16-17,19,24,38H,6-9,12-15H2,1-2H3,(H,34,39)/t17-,27?,28?/m1/s1
InChIKeyQWRNPMLHYMURAX-ZRBSRWLZSA-N
XLogP4.11
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.61
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-[4-[(2R)-2-hydroxy-4-azaspiro[2.4]heptan-4-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 177360367
1-(1-bicyclo[1.1.1]pentanyl)-N-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide
CID 175934929
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
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
2-amino-4-(difluoromethyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-morpholin-4-ylbenzamide
CID 170630178
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-fluoro-5-morpholin-4-yl-2-(piperidin-4-ylamino)benzamide
CID 176888794
2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]-5-(azetidin-1-yl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-fluorobenzamide
CID 170630296
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-oxopyridine-3-carboxamide
CID 169321729
1-(3,3-difluoro-1-methylcyclobutyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide
CID 169321654
5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 164564411
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-(3-methylazetidin-3-yl)-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide;hydrochloride
CID 169321566
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-[2-(oxan-4-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 170311732

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H](NC(=O)c1cc(N2CCC(N3CC4(C)CC3(CO)C4)CC2)c2ncnn2c1)c1cccc(C(F)F)c1F.
What is the InChIKey of 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?
The InChIKey is QWRNPMLHYMURAX-ZRBSRWLZSA-N. The full InChI is InChI=1S/C28H33F3N6O2/c1-17(20-4-3-5-21(23(20)29)24(30)31)34-26(39)18-10-22(25-32-16-33-37(25)11-18)35-8-6-19(7-9-35)36-14-27(2)12-28(36,13-27)15-38/h3-5,10-11,16-17,19,24,38H,6-9,12-15H2,1-2H3,(H,34,39)/t17-,27?,28?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 542.61 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177360275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).