N-(3-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C99H94F3N13O12S — CID 158690662

About N-(3-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-(3-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 158690662) has the molecular formula C99H94F3N13O12S and a molecular weight of 1746.98 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• PubChem CID: 158690662
• Molecular Formula: C99H94F3N13O12S
• Molecular Weight: 1746.98 g/mol
• Exact Mass: 1745.68
• IUPAC Name: N-(3-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• SMILES: C=C1C=Cc2cc(C(=O)N3CCCC3)[nH]c2N1c1ccc(OC(C)C)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(OC)c3)[nH]c2N1c1ccc(OC(C)C)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)[nH]c2N1c1ccc(OC(C)C)cc1
• InChI: InChI=1S/C28H20F3N3O3.C25H25N3O3.C24H24N4O4S.C22H25N3O2/c1-18-10-11-19-16-25(33-26(19)34(18)21-12-14-23(15-13-21)37-28(29,30)31)27(35)32-20-6-5-9-24(17-20)36-22-7-3-2-4-8-22;1-16(2)31-21-12-10-20(11-13-21)28-17(3)8-9-18-14-23(27-24(18)28)25(29)26-19-6-5-7-22(15-19)30-4;1-15(2)32-20-11-9-19(10-12-20)28-16(3)7-8-17-13-22(27-23(17)28)24(29)26-18-5-4-6-21(14-18)33(25,30)31;1-15(2)27-19-10-8-18(9-11-19)25-16(3)6-7-17-14-20(23-21(17)25)22(26)24-12-4-5-13-24/h2-17,33H,1H2,(H,32,35);5-16,27H,3H2,1-2,4H3,(H,26,29);4-15,27H,3H2,1-2H3,(H,26,29)(H2,25,30,31);6-11,14-15,23H,3-5,12-13H2,1-2H3
• InChIKey: IGHQVBDCCKCOHK-UHFFFAOYSA-N
• XLogP: 22.47
• TPSA: 299.27 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1746.98
LogP ≤ 5	22.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-(3-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 158690662) is N-(3-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-(3-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-(3-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is C=C1C=Cc2cc(C(=O)N3CCCC3)[nH]c2N1c1ccc(OC(C)C)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(OC)c3)[nH]c2N1c1ccc(OC(C)C)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)[nH]c2N1c1ccc(OC(C)C)cc1.

What is the InChIKey of N-(3-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The InChIKey is IGHQVBDCCKCOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F3N3O3.C25H25N3O3.C24H24N4O4S.C22H25N3O2/c1-18-10-11-19-16-25(33-26(19)34(18)21-12-14-23(15-13-21)37-28(29,30)31)27(35)32-20-6-5-9-24(17-20)36-22-7-3-2-4-8-22;1-16(2)31-21-12-10-20(11-13-21)28-17(3)8-9-18-14-23(27-24(18)28)25(29)26-19-6-5-7-22(15-19)30-4;1-15(2)32-20-11-9-19(10-12-20)28-16(3)7-8-17-13-22(27-23(17)28)24(29)26-18-5-4-6-21(14-18)33(25,30)31;1-15(2)27-19-10-8-18(9-11-19)25-16(3)6-7-17-14-20(23-21(17)25)22(26)24-12-4-5-13-24/h2-17,33H,1H2,(H,32,35);5-16,27H,3H2,1-2,4H3,(H,26,29);4-15,27H,3H2,1-2H3,(H,26,29)(H2,25,30,31);6-11,14-15,23H,3-5,12-13H2,1-2H3.

What are the key properties of N-(3-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

N-(3-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 1746.98 g/mol, XLogP of 22.47, 22 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 158690662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).