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

C44H33F5N6O8S2 — CID 90013210

IUPACN-[[4-(2-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)c(F)c1.O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(OCC(F)(F)F)c2)cc1)c1cnc2nccn2c1
InChIInChI=1S/C22H16F4N4O4S.C22H17FN2O4S/c23-16-7-17(34-13-22(24,25)26)9-19(8-16)35(32,33)18-3-1-14(2-4-18)10-28-20(31)15-11-29-21-27-5-6-30(21)12-15;1-14-2-7-21(18(23)10-14)30(27,28)17-5-3-15(4-6-17)12-25-22(26)19-11-16-8-9-24-13-20(16)29-19/h1-9,11-12H,10,13H2,(H,28,31);2-11,13H,12H2,1H3,(H,25,26)
InChIKeyFOGNMLXZHIDXCT-UHFFFAOYSA-N
MW932.91 g/mol
LogP7.61
Rot. Bonds12

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

N-[[4-(2-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 90013210) has the molecular formula C44H33F5N6O8S2 and a molecular weight of 932.91 g/mol. Its IUPAC name is N-[[4-(2-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID90013210
Molecular FormulaC44H33F5N6O8S2
Molecular Weight932.91 g/mol
Exact Mass932.17
IUPAC NameN-[[4-(2-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)c(F)c1.O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(OCC(F)(F)F)c2)cc1)c1cnc2nccn2c1
InChIInChI=1S/C22H16F4N4O4S.C22H17FN2O4S/c23-16-7-17(34-13-22(24,25)26)9-19(8-16)35(32,33)18-3-1-14(2-4-18)10-28-20(31)15-11-29-21-27-5-6-30(21)12-15;1-14-2-7-21(18(23)10-14)30(27,28)17-5-3-15(4-6-17)12-25-22(26)19-11-16-8-9-24-13-20(16)29-19/h1-9,11-12H,10,13H2,(H,28,31);2-11,13H,12H2,1H3,(H,25,26)
InChIKeyFOGNMLXZHIDXCT-UHFFFAOYSA-N
XLogP7.61
TPSA191.93 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500932.91
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[[4-(2-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]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-(2-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[4-(2-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (CID 90013210) is N-[[4-(2-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[4-(2-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[4-(2-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is Cc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)c(F)c1.O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(OCC(F)(F)F)c2)cc1)c1cnc2nccn2c1.
What is the InChIKey of N-[[4-(2-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is FOGNMLXZHIDXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O4S.C22H17FN2O4S/c23-16-7-17(34-13-22(24,25)26)9-19(8-16)35(32,33)18-3-1-14(2-4-18)10-28-20(31)15-11-29-21-27-5-6-30(21)12-15;1-14-2-7-21(18(23)10-14)30(27,28)17-5-3-15(4-6-17)12-25-22(26)19-11-16-8-9-24-13-20(16)29-19/h1-9,11-12H,10,13H2,(H,28,31);2-11,13H,12H2,1H3,(H,25,26).
What are the key properties of N-[[4-(2-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
N-[[4-(2-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 932.91 g/mol, XLogP of 7.61, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 90013210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).