N-[2-methyl-5-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C25H18F6N4O2 — CID 123197112

IUPACN-[2-methyl-5-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C25H18F6N4O2/c1-14-8-9-15(12-18(14)33-23(37)19-13-32-20-7-2-3-10-35(19)20)21(25(29,30)31)34-22(36)16-5-4-6-17(11-16)24(26,27)28/h2-13,21H,1H3,(H,33,37)(H,34,36)
InChIKeyHZOHHJUUPMAZPO-UHFFFAOYSA-N
MW520.43 g/mol
LogP5.95
Rot. Bonds5

About N-[2-methyl-5-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[2-methyl-5-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 123197112) has the molecular formula C25H18F6N4O2 and a molecular weight of 520.43 g/mol. Its IUPAC name is N-[2-methyl-5-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID123197112
Molecular FormulaC25H18F6N4O2
Molecular Weight520.43 g/mol
Exact Mass520.13
IUPAC NameN-[2-methyl-5-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C25H18F6N4O2/c1-14-8-9-15(12-18(14)33-23(37)19-13-32-20-7-2-3-10-35(19)20)21(25(29,30)31)34-22(36)16-5-4-6-17(11-16)24(26,27)28/h2-13,21H,1H3,(H,33,37)(H,34,36)
InChIKeyHZOHHJUUPMAZPO-UHFFFAOYSA-N
XLogP5.95
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.43
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-[(1S)-2-methyl-1-[[3-(trifluoromethyl)benzoyl]amino]propyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144771694
N-[5-[(1S)-1-[[3-(2,2-difluoroethoxy)benzoyl]amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86764466
N-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 176677255
N-[1-[3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-4-methylphenyl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 123584605
N-[2-methyl-5-(1-methylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171795473
N-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123738439
N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 171795486
N-[2-methyl-5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280891
tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate
CID 71280675
N-[2-methyl-5-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281735
N-[5-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282200
azetidine;N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796634

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-5-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 123197112) is N-[2-methyl-5-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(C(NC(=O)c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[2-methyl-5-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HZOHHJUUPMAZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F6N4O2/c1-14-8-9-15(12-18(14)33-23(37)19-13-32-20-7-2-3-10-35(19)20)21(25(29,30)31)34-22(36)16-5-4-6-17(11-16)24(26,27)28/h2-13,21H,1H3,(H,33,37)(H,34,36).
What are the key properties of N-[2-methyl-5-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-methyl-5-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 520.43 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 123197112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).