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

C62H48FN11O10S5 — CID 90012376

IUPACN-[[4-(3-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(2-methylindazol-5-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)cc1F.Cn1cc2cc(S(=O)(=O)c3ccc(CNC(=O)c4cnc5nccn5c4)cc3)ccc2n1.O=C(NCc1ccc(S(=O)(=O)c2nccs2)cc1)c1cc2ccncc2s1
InChIInChI=1S/C22H17FN2O4S.C22H18N6O3S.C18H13N3O3S3/c1-14-2-5-18(11-19(14)23)30(27,28)17-6-3-15(4-7-17)12-25-22(26)20-10-16-8-9-24-13-21(16)29-20;1-27-13-16-10-19(6-7-20(16)26-27)32(30,31)18-4-2-15(3-5-18)11-24-21(29)17-12-25-22-23-8-9-28(22)14-17;22-17(15-9-13-5-6-19-11-16(13)26-15)21-10-12-1-3-14(4-2-12)27(23,24)18-20-7-8-25-18/h2-11,13H,12H2,1H3,(H,25,26);2-10,12-14H,11H2,1H3,(H,24,29);1-9,11H,10H2,(H,21,22)
InChIKeyMCZHPXKHTFLIMB-UHFFFAOYSA-N
MW1286.47 g/mol
LogP9.93
Rot. Bonds15

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

N-[[4-(3-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(2-methylindazol-5-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 90012376) has the molecular formula C62H48FN11O10S5 and a molecular weight of 1286.47 g/mol. Its IUPAC name is N-[[4-(3-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(2-methylindazol-5-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(2-methylindazol-5-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID90012376
Molecular FormulaC62H48FN11O10S5
Molecular Weight1286.47 g/mol
Exact Mass1285.22
IUPAC NameN-[[4-(3-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(2-methylindazol-5-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)cc1F.Cn1cc2cc(S(=O)(=O)c3ccc(CNC(=O)c4cnc5nccn5c4)cc3)ccc2n1.O=C(NCc1ccc(S(=O)(=O)c2nccs2)cc1)c1cc2ccncc2s1
InChIInChI=1S/C22H17FN2O4S.C22H18N6O3S.C18H13N3O3S3/c1-14-2-5-18(11-19(14)23)30(27,28)17-6-3-15(4-7-17)12-25-22(26)20-10-16-8-9-24-13-21(16)29-20;1-27-13-16-10-19(6-7-20(16)26-27)32(30,31)18-4-2-15(3-5-18)11-24-21(29)17-12-25-22-23-8-9-28(22)14-17;22-17(15-9-13-5-6-19-11-16(13)26-15)21-10-12-1-3-14(4-2-12)27(23,24)18-20-7-8-25-18/h2-11,13H,12H2,1H3,(H,25,26);2-10,12-14H,11H2,1H3,(H,24,29);1-9,11H,10H2,(H,21,22)
InChIKeyMCZHPXKHTFLIMB-UHFFFAOYSA-N
XLogP9.93
TPSA289.54 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001286.47
LogP ≤ 59.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze N-[[4-(3-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(2-methylindazol-5-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(2-methylindazol-5-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(3-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(2-methylindazol-5-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 90012376) is N-[[4-(3-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(2-methylindazol-5-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(3-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(2-methylindazol-5-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(3-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(2-methylindazol-5-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is Cc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)cc1F.Cn1cc2cc(S(=O)(=O)c3ccc(CNC(=O)c4cnc5nccn5c4)cc3)ccc2n1.O=C(NCc1ccc(S(=O)(=O)c2nccs2)cc1)c1cc2ccncc2s1.
What is the InChIKey of N-[[4-(3-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(2-methylindazol-5-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is MCZHPXKHTFLIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O4S.C22H18N6O3S.C18H13N3O3S3/c1-14-2-5-18(11-19(14)23)30(27,28)17-6-3-15(4-7-17)12-25-22(26)20-10-16-8-9-24-13-21(16)29-20;1-27-13-16-10-19(6-7-20(16)26-27)32(30,31)18-4-2-15(3-5-18)11-24-21(29)17-12-25-22-23-8-9-28(22)14-17;22-17(15-9-13-5-6-19-11-16(13)26-15)21-10-12-1-3-14(4-2-12)27(23,24)18-20-7-8-25-18/h2-11,13H,12H2,1H3,(H,25,26);2-10,12-14H,11H2,1H3,(H,24,29);1-9,11H,10H2,(H,21,22).
What are the key properties of N-[[4-(3-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(2-methylindazol-5-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[[4-(3-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(2-methylindazol-5-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 1286.47 g/mol, XLogP of 9.93, 15 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluoro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(2-methylindazol-5-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).