methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid

C37H32F6N8O10S2 — CID 164980495

IUPACmethyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCOC(=O)c1cc2nc(CCS(C)(=O)=O)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.CS(=O)(=O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(=O)O)cc2n1
InChIInChI=1S/C19H17F3N4O5S.C18H15F3N4O5S/c1-31-18(28)12-8-16-23-11(6-7-32(2,29)30)9-26(16)10-14(12)25-17(27)13-4-3-5-15(24-13)19(20,21)22;1-31(29,30)6-5-10-8-25-9-13(11(17(27)28)7-15(25)22-10)24-16(26)12-3-2-4-14(23-12)18(19,20)21/h3-5,8-10H,6-7H2,1-2H3,(H,25,27);2-4,7-9H,5-6H2,1H3,(H,24,26)(H,27,28)
InChIKeyFKHFPRRFMJQYRW-UHFFFAOYSA-N
MW926.83 g/mol
LogP4.66
Rot. Bonds12

About methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid

methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 164980495) has the molecular formula C37H32F6N8O10S2 and a molecular weight of 926.83 g/mol. Its IUPAC name is methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Namemethyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID164980495
Molecular FormulaC37H32F6N8O10S2
Molecular Weight926.83 g/mol
Exact Mass926.16
IUPAC Namemethyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCOC(=O)c1cc2nc(CCS(C)(=O)=O)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.CS(=O)(=O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(=O)O)cc2n1
InChIInChI=1S/C19H17F3N4O5S.C18H15F3N4O5S/c1-31-18(28)12-8-16-23-11(6-7-32(2,29)30)9-26(16)10-14(12)25-17(27)13-4-3-5-15(24-13)19(20,21)22;1-31(29,30)6-5-10-8-25-9-13(11(17(27)28)7-15(25)22-10)24-16(26)12-3-2-4-14(23-12)18(19,20)21/h3-5,8-10H,6-7H2,1-2H3,(H,25,27);2-4,7-9H,5-6H2,1H3,(H,24,26)(H,27,28)
InChIKeyFKHFPRRFMJQYRW-UHFFFAOYSA-N
XLogP4.66
TPSA250.46 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.83
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
CID 164959032
3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
CID 164822102
N-(cyclopropylmethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
CID 155167173
ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
CID 155167092
3-[7-(4-carbamoylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
CID 164822108
N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
CID 165028576
ethyl 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate
CID 167703691
methyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 121364952
ethyl 2-[4-(phenylmethoxymethyl)cyclohexyl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
CID 164568070
methyl 2-(thian-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 137377327
ethane;methyl 1-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 145389022
N-(4-amino-1-phenylpyrrol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 176705912

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid (CID 164980495) is methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid is COC(=O)c1cc2nc(CCS(C)(=O)=O)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.CS(=O)(=O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(=O)O)cc2n1.
What is the InChIKey of methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is FKHFPRRFMJQYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O5S.C18H15F3N4O5S/c1-31-18(28)12-8-16-23-11(6-7-32(2,29)30)9-26(16)10-14(12)25-17(27)13-4-3-5-15(24-13)19(20,21)22;1-31(29,30)6-5-10-8-25-9-13(11(17(27)28)7-15(25)22-10)24-16(26)12-3-2-4-14(23-12)18(19,20)21/h3-5,8-10H,6-7H2,1-2H3,(H,25,27);2-4,7-9H,5-6H2,1H3,(H,24,26)(H,27,28).
What are the key properties of methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 926.83 g/mol, XLogP of 4.66, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 164980495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).