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

C17H15BrF4N4O — CID 177360304

IUPAC8-bromo-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESC[C@@H](NC(=O)C1=CN2C(=NCN2C)C(Br)=C1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C17H15BrF4N4O/c1-9(11-4-3-5-12(14(11)19)17(20,21)22)24-16(27)10-6-13(18)15-23-8-25(2)26(15)7-10/h3-7,9H,8H2,1-2H3,(H,24,27)/t9-/m1/s1
InChIKeyCQUYSKZQGXDGAT-SECBINFHSA-N
MW447.23 g/mol
LogP3.72
Rot. Bonds3

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

8-bromo-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 177360304) has the molecular formula C17H15BrF4N4O and a molecular weight of 447.23 g/mol. Its IUPAC name is 8-bromo-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-bromo-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID177360304
Molecular FormulaC17H15BrF4N4O
Molecular Weight447.23 g/mol
Exact Mass446.04
IUPAC Name8-bromo-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESC[C@@H](NC(=O)C1=CN2C(=NCN2C)C(Br)=C1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C17H15BrF4N4O/c1-9(11-4-3-5-12(14(11)19)17(20,21)22)24-16(27)10-6-13(18)15-23-8-25(2)26(15)7-10/h3-7,9H,8H2,1-2H3,(H,24,27)/t9-/m1/s1
InChIKeyCQUYSKZQGXDGAT-SECBINFHSA-N
XLogP3.72
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-(1-hydroxycyclohexyl)-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 177360387
6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide
CID 177158035
(2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide
CID 177158093
1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-3-(2-pyrimidin-2-ylpyrazol-3-yl)urea
CID 167835640
6-(4-acetamidopiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide
CID 177158163
N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide
CID 177158012
N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885795
4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 77080184
(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
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
1,5-dibromo-2,4-bis[2-fluoro-3-(trifluoromethyl)phenyl]pentan-3-one
CID 151614865
2,2-difluoro-2-[2-fluoro-3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]acetic acid
CID 174191659

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 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) is 8-bromo-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-bromo-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 8-bromo-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is C[C@@H](NC(=O)C1=CN2C(=NCN2C)C(Br)=C1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 8-bromo-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is CQUYSKZQGXDGAT-SECBINFHSA-N. The full InChI is InChI=1S/C17H15BrF4N4O/c1-9(11-4-3-5-12(14(11)19)17(20,21)22)24-16(27)10-6-13(18)15-23-8-25(2)26(15)7-10/h3-7,9H,8H2,1-2H3,(H,24,27)/t9-/m1/s1.
What are the key properties of 8-bromo-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
8-bromo-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 447.23 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 177360304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).