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

C27H31F3N6O2 — CID 177360367

IUPACN-[(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
SMILESC[C@@H](NC(=O)c1cc(N2CCC(N3CCCC34C[C@H]4O)CC2)c2ncnn2c1)c1cccc(C(F)F)c1F
InChIInChI=1S/C27H31F3N6O2/c1-16(19-4-2-5-20(23(19)28)24(29)30)33-26(38)17-12-21(25-31-15-32-36(25)14-17)34-10-6-18(7-11-34)35-9-3-8-27(35)13-22(27)37/h2,4-5,12,14-16,18,22,24,37H,3,6-11,13H2,1H3,(H,33,38)/t16-,22-,27?/m1/s1
InChIKeyCBAQOIXUHMRPRX-VTLFPHQASA-N
MW528.58 g/mol
LogP3.87
Rot. Bonds6

About 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

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 (PubChem CID 177360367) has the molecular formula C27H31F3N6O2 and a molecular weight of 528.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID177360367
Molecular FormulaC27H31F3N6O2
Molecular Weight528.58 g/mol
Exact Mass528.25
IUPAC NameN-[(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
SMILESC[C@@H](NC(=O)c1cc(N2CCC(N3CCCC34C[C@H]4O)CC2)c2ncnn2c1)c1cccc(C(F)F)c1F
InChIInChI=1S/C27H31F3N6O2/c1-16(19-4-2-5-20(23(19)28)24(29)30)33-26(38)17-12-21(25-31-15-32-36(25)14-17)34-10-6-18(7-11-34)35-9-3-8-27(35)13-22(27)37/h2,4-5,12,14-16,18,22,24,37H,3,6-11,13H2,1H3,(H,33,38)/t16-,22-,27?/m1/s1
InChIKeyCBAQOIXUHMRPRX-VTLFPHQASA-N
XLogP3.87
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.58
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 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
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
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-[(1-methylpiperidin-4-yl)amino]-6-[2-(oxan-4-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 170311732
4-[[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]amino]-1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide
CID 169321523
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(4S)-2,2-dimethyloxan-4-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide
CID 169126692
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[1-(fluoromethyl)cyclopropyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.2.1]octan-8-yl]amino]-6-oxopyridine-3-carboxamide
CID 169321663
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-fluoro-5-morpholin-4-yl-2-(piperidin-4-ylamino)benzamide
CID 176888794
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide
CID 126797853

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H](NC(=O)c1cc(N2CCC(N3CCCC34C[C@H]4O)CC2)c2ncnn2c1)c1cccc(C(F)F)c1F.
What is the InChIKey of 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?
The InChIKey is CBAQOIXUHMRPRX-VTLFPHQASA-N. The full InChI is InChI=1S/C27H31F3N6O2/c1-16(19-4-2-5-20(23(19)28)24(29)30)33-26(38)17-12-21(25-31-15-32-36(25)14-17)34-10-6-18(7-11-34)35-9-3-8-27(35)13-22(27)37/h2,4-5,12,14-16,18,22,24,37H,3,6-11,13H2,1H3,(H,33,38)/t16-,22-,27?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 528.58 g/mol, XLogP of 3.87, 6 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-[(2R)-2-hydroxy-4-azaspiro[2.4]heptan-4-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 177360367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).