methyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate

C24H24F6N4O6S — CID 165178192

IUPACmethyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCS(=O)(=O)c1c(N(Cc2ncc(C(F)(F)F)cc2C(=O)OC)C(=O)OC(C)(C)C)nc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C24H24F6N4O6S/c1-6-41(37,38)19-18(32-17-10-13(23(25,26)27)7-8-33(17)19)34(21(36)40-22(2,3)4)12-16-15(20(35)39-5)9-14(11-31-16)24(28,29)30/h7-11H,6,12H2,1-5H3
InChIKeyVYMMGFKORHJNMC-UHFFFAOYSA-N
MW610.53 g/mol
LogP5.29
Rot. Bonds6

About methyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate

methyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 165178192) has the molecular formula C24H24F6N4O6S and a molecular weight of 610.53 g/mol. Its IUPAC name is methyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID165178192
Molecular FormulaC24H24F6N4O6S
Molecular Weight610.53 g/mol
Exact Mass610.13
IUPAC Namemethyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCS(=O)(=O)c1c(N(Cc2ncc(C(F)(F)F)cc2C(=O)OC)C(=O)OC(C)(C)C)nc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C24H24F6N4O6S/c1-6-41(37,38)19-18(32-17-10-13(23(25,26)27)7-8-33(17)19)34(21(36)40-22(2,3)4)12-16-15(20(35)39-5)9-14(11-31-16)24(28,29)30/h7-11H,6,12H2,1-5H3
InChIKeyVYMMGFKORHJNMC-UHFFFAOYSA-N
XLogP5.29
TPSA120.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.53
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 163759366
ethyl 2-[[[3-ethylsulfonyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 162746212
ethyl 2-[[[6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 165178188
methyl 2-[[[3-ethylsulfonyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]amino]methyl]-5-(trifluoromethylsulfonyl)benzoate
CID 165178158
methyl 2-[acetyl-[2-ethylsulfonyl-4-(trifluoromethyl)benzoyl]amino]-5-(trifluoromethyl)benzoate
CID 167097312
ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate
CID 156850074
methyl 2-(4-methoxy-N-methylanilino)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 122505030
methyl 2-fluoro-5-(trifluoromethyl)pyridine-3-carboxylate
CID 118704463
6-[3-ethylsulfonyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 167424686
2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82529869
methyl 2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 146526064
2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 155685636

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate (CID 165178192) is methyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate is CCS(=O)(=O)c1c(N(Cc2ncc(C(F)(F)F)cc2C(=O)OC)C(=O)OC(C)(C)C)nc2cc(C(F)(F)F)ccn12.
What is the InChIKey of methyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is VYMMGFKORHJNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F6N4O6S/c1-6-41(37,38)19-18(32-17-10-13(23(25,26)27)7-8-33(17)19)34(21(36)40-22(2,3)4)12-16-15(20(35)39-5)9-14(11-31-16)24(28,29)30/h7-11H,6,12H2,1-5H3.
What are the key properties of methyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate?
methyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 610.53 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 165178192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).