1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide

C23H21F3N6O2S — CID 160642069

IUPAC1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
SMILESCNC(=O)Cn1cnc2cnc(C(=O)NC(C)c3cnc(Cc4ccc(C(F)(F)F)cc4)s3)cc21
InChIInChI=1S/C23H21F3N6O2S/c1-13(19-10-29-21(35-19)7-14-3-5-15(6-4-14)23(24,25)26)31-22(34)16-8-18-17(9-28-16)30-12-32(18)11-20(33)27-2/h3-6,8-10,12-13H,7,11H2,1-2H3,(H,27,33)(H,31,34)
InChIKeyRJHQYRMKKQMMJB-UHFFFAOYSA-N
MW502.52 g/mol
LogP3.73
Rot. Bonds7

About 1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide

1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 160642069) has the molecular formula C23H21F3N6O2S and a molecular weight of 502.52 g/mol. Its IUPAC name is 1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID160642069
Molecular FormulaC23H21F3N6O2S
Molecular Weight502.52 g/mol
Exact Mass502.14
IUPAC Name1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
SMILESCNC(=O)Cn1cnc2cnc(C(=O)NC(C)c3cnc(Cc4ccc(C(F)(F)F)cc4)s3)cc21
InChIInChI=1S/C23H21F3N6O2S/c1-13(19-10-29-21(35-19)7-14-3-5-15(6-4-14)23(24,25)26)31-22(34)16-8-18-17(9-28-16)30-12-32(18)11-20(33)27-2/h3-6,8-10,12-13H,7,11H2,1-2H3,(H,27,33)(H,31,34)
InChIKeyRJHQYRMKKQMMJB-UHFFFAOYSA-N
XLogP3.73
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.52
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 90959471
1-(2-methylsulfonylethyl)-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 88575129
1-(1-acetylazetidin-3-yl)-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 88575163
N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide
CID 46842332
N-[1-[2-[3-(2-aminopropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
CID 88579118
N-[1-[2-(3-tert-butylanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
CID 89051119
N-[1-[2-(3-tert-butyl-5-cyanoanilino)-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
CID 88579322
1-[2-(methylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
CID 28524828
N-[1-(2-bromo-1,3-thiazol-5-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 169263010
2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17028490
N-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide
CID 50844722
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86836135

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide (CID 160642069) is 1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide is CNC(=O)Cn1cnc2cnc(C(=O)NC(C)c3cnc(Cc4ccc(C(F)(F)F)cc4)s3)cc21.
What is the InChIKey of 1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is RJHQYRMKKQMMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O2S/c1-13(19-10-29-21(35-19)7-14-3-5-15(6-4-14)23(24,25)26)31-22(34)16-8-18-17(9-28-16)30-12-32(18)11-20(33)27-2/h3-6,8-10,12-13H,7,11H2,1-2H3,(H,27,33)(H,31,34).
What are the key properties of 1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 502.52 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 160642069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).