N-(1H-benzimidazol-2-ylmethyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-fluoro-4-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C130H113ClF6N22O11S2 — CID 158481192

About N-(1H-benzimidazol-2-ylmethyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-fluoro-4-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-fluoro-4-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 158481192) has the molecular formula C130H113ClF6N22O11S2 and a molecular weight of 2373.05 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-fluoro-4-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(1H-benzimidazol-2-ylmethyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-fluoro-4-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• PubChem CID: 158481192
• Molecular Formula: C130H113ClF6N22O11S2
• Molecular Weight: 2373.05 g/mol
• Exact Mass: 2370.80
• IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-fluoro-4-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• SMILES: C=C1C=Cc2cc(C(=O)NC(C)c3ccccc3)[nH]c2N1c1ccc(F)cc1.C=C1C=Cc2cc(C(=O)NC)[nH]c2N1c1ccc(C(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)NCc3nc4ccccc4[nH]3)[nH]c2N1c1ccc(OC(C)C)cc1.C=C1C=Cc2cc(C(=O)Nc3ccc(OC)c(F)c3)[nH]c2N1c1ccc(OC(C)C)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)Nc3nccs3)[nH]c2N1c1ccc(F)cc1
• InChI: InChI=1S/C26H25N5O2.C25H24FN3O3.C23H20FN3O.C21H17ClN4O3S.C18H13FN4OS.C17H14F3N3O/c1-16(2)33-20-12-10-19(11-13-20)31-17(3)8-9-18-14-23(30-25(18)31)26(32)27-15-24-28-21-6-4-5-7-22(21)29-24;1-15(2)32-20-10-8-19(9-11-20)29-16(3)5-6-17-13-22(28-24(17)29)25(30)27-18-7-12-23(31-4)21(26)14-18;1-15-8-9-18-14-21(23(28)25-16(2)17-6-4-3-5-7-17)26-22(18)27(15)20-12-10-19(24)11-13-20;1-13-5-6-14-11-19(25-20(14)26(13)17-9-7-15(22)8-10-17)21(27)24-16-3-2-4-18(12-16)30(23,28)29;1-11-2-3-12-10-15(17(24)22-18-20-8-9-25-18)21-16(12)23(11)14-6-4-13(19)5-7-14;1-10-3-4-11-9-14(16(24)21-2)22-15(11)23(10)13-7-5-12(6-8-13)17(18,19)20/h4-14,16,30H,3,15H2,1-2H3,(H,27,32)(H,28,29);5-15,28H,3H2,1-2,4H3,(H,27,30);3-14,16,26H,1H2,2H3,(H,25,28);2-12,25H,1H2,(H,24,27)(H2,23,28,29);2-10,21H,1H2,(H,20,22,24);3-9,22H,1H2,2H3,(H,21,24)
• InChIKey: HHNQSTOZORUKAY-UHFFFAOYSA-N
• XLogP: 29.35
• TPSA: 418.20 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2373.05
LogP ≤ 5	29.35
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-fluoro-4-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-fluoro-4-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 158481192) is N-(1H-benzimidazol-2-ylmethyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-fluoro-4-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-fluoro-4-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-fluoro-4-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is C=C1C=Cc2cc(C(=O)NC(C)c3ccccc3)[nH]c2N1c1ccc(F)cc1.C=C1C=Cc2cc(C(=O)NC)[nH]c2N1c1ccc(C(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)NCc3nc4ccccc4[nH]3)[nH]c2N1c1ccc(OC(C)C)cc1.C=C1C=Cc2cc(C(=O)Nc3ccc(OC)c(F)c3)[nH]c2N1c1ccc(OC(C)C)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)Nc3nccs3)[nH]c2N1c1ccc(F)cc1.

What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-fluoro-4-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The InChIKey is HHNQSTOZORUKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2.C25H24FN3O3.C23H20FN3O.C21H17ClN4O3S.C18H13FN4OS.C17H14F3N3O/c1-16(2)33-20-12-10-19(11-13-20)31-17(3)8-9-18-14-23(30-25(18)31)26(32)27-15-24-28-21-6-4-5-7-22(21)29-24;1-15(2)32-20-10-8-19(9-11-20)29-16(3)5-6-17-13-22(28-24(17)29)25(30)27-18-7-12-23(31-4)21(26)14-18;1-15-8-9-18-14-21(23(28)25-16(2)17-6-4-3-5-7-17)26-22(18)27(15)20-12-10-19(24)11-13-20;1-13-5-6-14-11-19(25-20(14)26(13)17-9-7-15(22)8-10-17)21(27)24-16-3-2-4-18(12-16)30(23,28)29;1-11-2-3-12-10-15(17(24)22-18-20-8-9-25-18)21-16(12)23(11)14-6-4-13(19)5-7-14;1-10-3-4-11-9-14(16(24)21-2)22-15(11)23(10)13-7-5-12(6-8-13)17(18,19)20/h4-14,16,30H,3,15H2,1-2H3,(H,27,32)(H,28,29);5-15,28H,3H2,1-2,4H3,(H,27,30);3-14,16,26H,1H2,2H3,(H,25,28);2-12,25H,1H2,(H,24,27)(H2,23,28,29);2-10,21H,1H2,(H,20,22,24);3-9,22H,1H2,2H3,(H,21,24).

What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-fluoro-4-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

N-(1H-benzimidazol-2-ylmethyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-fluoro-4-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 2373.05 g/mol, XLogP of 29.35, 25 rotatable bonds, 14 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-benzimidazol-2-ylmethyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-fluoro-4-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 158481192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).