N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-ethoxy-6-fluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-fluoro-2-propan-2-yloxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

C67H55F4N9O12S3 — CID 90012709

IUPACN-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-ethoxy-6-fluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-fluoro-2-propan-2-yloxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCC(C)Oc1cc(F)ccc1S(=O)(=O)c1ccc(CNC(=O)c2cnc3nccn3c2)cc1.CCOc1cccc(F)c1S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1.O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C23H21FN4O4S.C23H19FN2O5S.C21H15F2N3O3S/c1-15(2)32-20-11-18(24)5-8-21(20)33(30,31)19-6-3-16(4-7-19)12-26-22(29)17-13-27-23-25-9-10-28(23)14-17;1-2-30-19-5-3-4-18(24)22(19)32(28,29)17-8-6-15(7-9-17)13-26-23(27)20-12-16-10-11-25-14-21(16)31-20;22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h3-11,13-15H,12H2,1-2H3,(H,26,29);3-12,14H,2,13H2,1H3,(H,26,27);1-11,13H,12H2,(H,25,27)
InChIKeySRAMFEZTALCDLV-UHFFFAOYSA-N
MW1350.42 g/mol
LogP10.92
Rot. Bonds19

About N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-ethoxy-6-fluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-fluoro-2-propan-2-yloxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-ethoxy-6-fluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-fluoro-2-propan-2-yloxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 90012709) has the molecular formula C67H55F4N9O12S3 and a molecular weight of 1350.42 g/mol. Its IUPAC name is N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-ethoxy-6-fluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-fluoro-2-propan-2-yloxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-ethoxy-6-fluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-fluoro-2-propan-2-yloxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID90012709
Molecular FormulaC67H55F4N9O12S3
Molecular Weight1350.42 g/mol
Exact Mass1349.31
IUPAC NameN-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-ethoxy-6-fluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-fluoro-2-propan-2-yloxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCC(C)Oc1cc(F)ccc1S(=O)(=O)c1ccc(CNC(=O)c2cnc3nccn3c2)cc1.CCOc1cccc(F)c1S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1.O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C23H21FN4O4S.C23H19FN2O5S.C21H15F2N3O3S/c1-15(2)32-20-11-18(24)5-8-21(20)33(30,31)19-6-3-16(4-7-19)12-26-22(29)17-13-27-23-25-9-10-28(23)14-17;1-2-30-19-5-3-4-18(24)22(19)32(28,29)17-8-6-15(7-9-17)13-26-23(27)20-12-16-10-11-25-14-21(16)31-20;22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h3-11,13-15H,12H2,1-2H3,(H,26,29);3-12,14H,2,13H2,1H3,(H,26,27);1-11,13H,12H2,(H,25,27)
InChIKeySRAMFEZTALCDLV-UHFFFAOYSA-N
XLogP10.92
TPSA281.70 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001350.42
LogP ≤ 510.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-ethoxy-6-fluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-fluoro-2-propan-2-yloxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-ethoxy-6-fluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-fluoro-2-propan-2-yloxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-ethoxy-6-fluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-fluoro-2-propan-2-yloxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (CID 90012709) is N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-ethoxy-6-fluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-fluoro-2-propan-2-yloxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-ethoxy-6-fluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-fluoro-2-propan-2-yloxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-ethoxy-6-fluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-fluoro-2-propan-2-yloxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is CC(C)Oc1cc(F)ccc1S(=O)(=O)c1ccc(CNC(=O)c2cnc3nccn3c2)cc1.CCOc1cccc(F)c1S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1.O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1ccc2nccn2c1.
What is the InChIKey of N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-ethoxy-6-fluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-fluoro-2-propan-2-yloxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is SRAMFEZTALCDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4S.C23H19FN2O5S.C21H15F2N3O3S/c1-15(2)32-20-11-18(24)5-8-21(20)33(30,31)19-6-3-16(4-7-19)12-26-22(29)17-13-27-23-25-9-10-28(23)14-17;1-2-30-19-5-3-4-18(24)22(19)32(28,29)17-8-6-15(7-9-17)13-26-23(27)20-12-16-10-11-25-14-21(16)31-20;22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h3-11,13-15H,12H2,1-2H3,(H,26,29);3-12,14H,2,13H2,1H3,(H,26,27);1-11,13H,12H2,(H,25,27).
What are the key properties of N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-ethoxy-6-fluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-fluoro-2-propan-2-yloxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-ethoxy-6-fluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-fluoro-2-propan-2-yloxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 1350.42 g/mol, XLogP of 10.92, 19 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-ethoxy-6-fluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-fluoro-2-propan-2-yloxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 90012709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).