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

C46H41F6N11O5S2 — CID 162187348

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

1-(2-amino-2-oxoethyl)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide;ethyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate (PubChem CID 162187348) has the molecular formula C46H41F6N11O5S2 and a molecular weight of 1006.03 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide;ethyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate.

Molecular Properties

• Compound Name: 1-(2-amino-2-oxoethyl)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide;ethyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate
• PubChem CID: 162187348
• Molecular Formula: C46H41F6N11O5S2
• Molecular Weight: 1006.03 g/mol
• Exact Mass: 1005.26
• IUPAC Name: 1-(2-amino-2-oxoethyl)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide;ethyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate
• SMILES: CC(NC(=O)c1cc2c(cn1)ncn2CC(N)=O)c1cnc(Cc2ccc(C(F)(F)F)cc2)s1.CCOC(=O)Cn1cnc2cnc(C(=O)NC(C)c3cnc(Cc4ccc(C(F)(F)F)cc4)s3)cc21
• InChI: InChI=1S/C24H22F3N5O3S.C22H19F3N6O2S/c1-3-35-22(33)12-32-13-30-18-10-28-17(9-19(18)32)23(34)31-14(2)20-11-29-21(36-20)8-15-4-6-16(7-5-15)24(25,26)27;1-12(18-9-28-20(34-18)6-13-2-4-14(5-3-13)22(23,24)25)30-21(33)15-7-17-16(8-27-15)29-11-31(17)10-19(26)32/h4-7,9-11,13-14H,3,8,12H2,1-2H3,(H,31,34);2-5,7-9,11-12H,6,10H2,1H3,(H2,26,32)(H,30,33)
• InChIKey: ZPVIKZCOSTXVAO-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 214.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1006.03
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide;ethyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate?

The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide;ethyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate (CID 162187348) is 1-(2-amino-2-oxoethyl)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide;ethyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate.

What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide;ethyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate?

The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide;ethyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate is CC(NC(=O)c1cc2c(cn1)ncn2CC(N)=O)c1cnc(Cc2ccc(C(F)(F)F)cc2)s1.CCOC(=O)Cn1cnc2cnc(C(=O)NC(C)c3cnc(Cc4ccc(C(F)(F)F)cc4)s3)cc21.

What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide;ethyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate?

The InChIKey is ZPVIKZCOSTXVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3S.C22H19F3N6O2S/c1-3-35-22(33)12-32-13-30-18-10-28-17(9-19(18)32)23(34)31-14(2)20-11-29-21(36-20)8-15-4-6-16(7-5-15)24(25,26)27;1-12(18-9-28-20(34-18)6-13-2-4-14(5-3-13)22(23,24)25)30-21(33)15-7-17-16(8-27-15)29-11-31(17)10-19(26)32/h4-7,9-11,13-14H,3,8,12H2,1-2H3,(H,31,34);2-5,7-9,11-12H,6,10H2,1H3,(H2,26,32)(H,30,33).

What are the key properties of 1-(2-amino-2-oxoethyl)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide;ethyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate?

1-(2-amino-2-oxoethyl)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide;ethyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate has a molecular weight of 1006.03 g/mol, XLogP of 8.03, 15 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-amino-2-oxoethyl)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide;ethyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate is sourced from PubChem (CID 162187348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).