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-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-chlorophenyl)-7-(3-methylphenyl)-6-oxo-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

C104H86Cl2F4N18O9S2 — CID 159829111

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-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-chlorophenyl)-7-(3-methylphenyl)-6-oxo-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-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-chlorophenyl)-7-(3-methylphenyl)-6-oxo-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 159829111) has the molecular formula C104H86Cl2F4N18O9S2 and a molecular weight of 1942.98 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-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-chlorophenyl)-7-(3-methylphenyl)-6-oxo-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-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-chlorophenyl)-7-(3-methylphenyl)-6-oxo-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: 159829111
• Molecular Formula: C104H86Cl2F4N18O9S2
• Molecular Weight: 1942.98 g/mol
• Exact Mass: 1940.56
• 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-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-chlorophenyl)-7-(3-methylphenyl)-6-oxo-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)[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)Nc3cccc(S(C)(=O)=O)c3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)Nc3nccs3)[nH]c2N1c1ccc(F)cc1.Cc1cccc(-n2c(=O)ccc3cc(C(=O)Nc4cccc(Cl)c4)[nH]c32)c1
• InChI: InChI=1S/C26H25N5O2.C22H18ClN3O3S.C21H16ClN3O2.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;1-14-6-7-15-12-20(25-21(15)26(14)18-10-8-16(23)9-11-18)22(27)24-17-4-3-5-19(13-17)30(2,28)29;1-13-4-2-7-17(10-13)25-19(26)9-8-14-11-18(24-20(14)25)21(27)23-16-6-3-5-15(22)12-16;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);3-13,25H,1H2,2H3,(H,24,27);2-12,24H,1H3,(H,23,27);2-10,21H,1H2,(H,20,22,24);3-9,22H,1H2,2H3,(H,21,24)
• InChIKey: NNFQDQVATXXDDD-UHFFFAOYSA-N
• XLogP: 23.44
• TPSA: 344.35 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1942.98
LogP ≤ 5	23.44
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

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-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-chlorophenyl)-7-(3-methylphenyl)-6-oxo-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-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-chlorophenyl)-7-(3-methylphenyl)-6-oxo-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 159829111) 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-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-chlorophenyl)-7-(3-methylphenyl)-6-oxo-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-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-chlorophenyl)-7-(3-methylphenyl)-6-oxo-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-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-chlorophenyl)-7-(3-methylphenyl)-6-oxo-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)[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)Nc3cccc(S(C)(=O)=O)c3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)Nc3nccs3)[nH]c2N1c1ccc(F)cc1.Cc1cccc(-n2c(=O)ccc3cc(C(=O)Nc4cccc(Cl)c4)[nH]c32)c1.

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-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-chlorophenyl)-7-(3-methylphenyl)-6-oxo-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 NNFQDQVATXXDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2.C22H18ClN3O3S.C21H16ClN3O2.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;1-14-6-7-15-12-20(25-21(15)26(14)18-10-8-16(23)9-11-18)22(27)24-17-4-3-5-19(13-17)30(2,28)29;1-13-4-2-7-17(10-13)25-19(26)9-8-14-11-18(24-20(14)25)21(27)23-16-6-3-5-15(22)12-16;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);3-13,25H,1H2,2H3,(H,24,27);2-12,24H,1H3,(H,23,27);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-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-chlorophenyl)-7-(3-methylphenyl)-6-oxo-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-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-chlorophenyl)-7-(3-methylphenyl)-6-oxo-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 1942.98 g/mol, XLogP of 23.44, 18 rotatable bonds, 11 hydrogen bond donors, and 17 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-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-chlorophenyl)-7-(3-methylphenyl)-6-oxo-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 159829111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).