N-[[4-(5-cyano-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C46H34F4N6O9S2 — CID 90012632

IUPACN-[[4-(5-cyano-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCOc1ccc(C#N)cc1S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1.O=C(NCc1ccc(S(=O)(=O)c2ccc(F)c(OCC(F)(F)F)c2)cc1)c1cc2ccncc2o1
InChIInChI=1S/C23H16F4N2O5S.C23H18N4O4S/c24-18-6-5-17(10-19(18)33-13-23(25,26)27)35(31,32)16-3-1-14(2-4-16)11-29-22(30)20-9-15-7-8-28-12-21(15)34-20;1-31-20-8-4-17(13-24)12-21(20)32(29,30)19-6-2-16(3-7-19)14-26-23(28)18-5-9-22-25-10-11-27(22)15-18/h1-10,12H,11,13H2,(H,29,30);2-12,15H,14H2,1H3,(H,26,28)
InChIKeyVVPZVDYTVDACRU-UHFFFAOYSA-N
MW954.94 g/mol
LogP7.65
Rot. Bonds13

About N-[[4-(5-cyano-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-(5-cyano-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90012632) has the molecular formula C46H34F4N6O9S2 and a molecular weight of 954.94 g/mol. Its IUPAC name is N-[[4-(5-cyano-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(5-cyano-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90012632
Molecular FormulaC46H34F4N6O9S2
Molecular Weight954.94 g/mol
Exact Mass954.18
IUPAC NameN-[[4-(5-cyano-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCOc1ccc(C#N)cc1S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1.O=C(NCc1ccc(S(=O)(=O)c2ccc(F)c(OCC(F)(F)F)c2)cc1)c1cc2ccncc2o1
InChIInChI=1S/C23H16F4N2O5S.C23H18N4O4S/c24-18-6-5-17(10-19(18)33-13-23(25,26)27)35(31,32)16-3-1-14(2-4-16)11-29-22(30)20-9-15-7-8-28-12-21(15)34-20;1-31-20-8-4-17(13-24)12-21(20)32(29,30)19-6-2-16(3-7-19)14-26-23(28)18-5-9-22-25-10-11-27(22)15-18/h1-10,12H,11,13H2,(H,29,30);2-12,15H,14H2,1H3,(H,26,28)
InChIKeyVVPZVDYTVDACRU-UHFFFAOYSA-N
XLogP7.65
TPSA212.06 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500954.94
LogP ≤ 57.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-[[4-(5-cyano-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-cyano-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(5-cyano-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90012632) is N-[[4-(5-cyano-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(5-cyano-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(5-cyano-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is COc1ccc(C#N)cc1S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1.O=C(NCc1ccc(S(=O)(=O)c2ccc(F)c(OCC(F)(F)F)c2)cc1)c1cc2ccncc2o1.
What is the InChIKey of N-[[4-(5-cyano-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is VVPZVDYTVDACRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N2O5S.C23H18N4O4S/c24-18-6-5-17(10-19(18)33-13-23(25,26)27)35(31,32)16-3-1-14(2-4-16)11-29-22(30)20-9-15-7-8-28-12-21(15)34-20;1-31-20-8-4-17(13-24)12-21(20)32(29,30)19-6-2-16(3-7-19)14-26-23(28)18-5-9-22-25-10-11-27(22)15-18/h1-10,12H,11,13H2,(H,29,30);2-12,15H,14H2,1H3,(H,26,28).
What are the key properties of N-[[4-(5-cyano-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[4-(5-cyano-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 954.94 g/mol, XLogP of 7.65, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-cyano-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).