N-[[4-(4-ethoxy-3-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C46H35F4N7O8S2 — CID 90012487

IUPACN-[[4-(4-ethoxy-3-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)cc1F.O=C(NCc1ccc(S(=O)(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1)c1cc2ccncc2o1
InChIInChI=1S/C23H15F3N4O4S.C23H20FN3O4S/c24-23(25,26)20-13-30-12-17(5-6-21(30)29-20)35(32,33)16-3-1-14(2-4-16)10-28-22(31)18-9-15-7-8-27-11-19(15)34-18;1-2-31-21-9-8-19(13-20(21)24)32(29,30)18-6-3-16(4-7-18)14-26-23(28)17-5-10-22-25-11-12-27(22)15-17/h1-9,11-13H,10H2,(H,28,31);3-13,15H,2,14H2,1H3,(H,26,28)
InChIKeyHFKFWGVQBCXCME-UHFFFAOYSA-N
MW953.95 g/mol
LogP7.89
Rot. Bonds12

About N-[[4-(4-ethoxy-3-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-(4-ethoxy-3-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90012487) has the molecular formula C46H35F4N7O8S2 and a molecular weight of 953.95 g/mol. Its IUPAC name is N-[[4-(4-ethoxy-3-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-ethoxy-3-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90012487
Molecular FormulaC46H35F4N7O8S2
Molecular Weight953.95 g/mol
Exact Mass953.19
IUPAC NameN-[[4-(4-ethoxy-3-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)cc1F.O=C(NCc1ccc(S(=O)(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1)c1cc2ccncc2o1
InChIInChI=1S/C23H15F3N4O4S.C23H20FN3O4S/c24-23(25,26)20-13-30-12-17(5-6-21(30)29-20)35(32,33)16-3-1-14(2-4-16)10-28-22(31)18-9-15-7-8-27-11-19(15)34-18;1-2-31-21-9-8-19(13-20(21)24)32(29,30)18-6-3-16(4-7-18)14-26-23(28)17-5-10-22-25-11-12-27(22)15-17/h1-9,11-13H,10H2,(H,28,31);3-13,15H,2,14H2,1H3,(H,26,28)
InChIKeyHFKFWGVQBCXCME-UHFFFAOYSA-N
XLogP7.89
TPSA196.34 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500953.95
LogP ≤ 57.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethoxy-3-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(4-ethoxy-3-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90012487) is N-[[4-(4-ethoxy-3-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(4-ethoxy-3-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(4-ethoxy-3-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is CCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)cc1F.O=C(NCc1ccc(S(=O)(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1)c1cc2ccncc2o1.
What is the InChIKey of N-[[4-(4-ethoxy-3-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is HFKFWGVQBCXCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O4S.C23H20FN3O4S/c24-23(25,26)20-13-30-12-17(5-6-21(30)29-20)35(32,33)16-3-1-14(2-4-16)10-28-22(31)18-9-15-7-8-27-11-19(15)34-18;1-2-31-21-9-8-19(13-20(21)24)32(29,30)18-6-3-16(4-7-18)14-26-23(28)17-5-10-22-25-11-12-27(22)15-17/h1-9,11-13H,10H2,(H,28,31);3-13,15H,2,14H2,1H3,(H,26,28).
What are the key properties of N-[[4-(4-ethoxy-3-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[4-(4-ethoxy-3-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 953.95 g/mol, XLogP of 7.89, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethoxy-3-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).