[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C84H79Cl2F3N14O8S2 — CID 157178874

About [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 157178874) has the molecular formula C84H79Cl2F3N14O8S2 and a molecular weight of 1604.68 g/mol. Its IUPAC name is [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• PubChem CID: 157178874
• Molecular Formula: C84H79Cl2F3N14O8S2
• Molecular Weight: 1604.68 g/mol
• Exact Mass: 1602.50
• IUPAC Name: [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• SMILES: C=C1C=Cc2cc(C(=O)N3CCN(C)CC3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)NCC3CCCO3)[nH]c2N1c1ccc(OC(C)C)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(S(C)(=O)=O)c3)[nH]c2N1c1ccc(C(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)Nc3nccs3)[nH]c2N1c1ccc(Cl)cc1
• InChI: InChI=1S/C23H18F3N3O3S.C23H27N3O3.C20H21ClN4O.C18H13ClN4OS/c1-14-6-7-15-12-20(22(30)27-17-4-3-5-19(13-17)33(2,31)32)28-21(15)29(14)18-10-8-16(9-11-18)23(24,25)26;1-15(2)29-19-10-8-18(9-11-19)26-16(3)6-7-17-13-21(25-22(17)26)23(27)24-14-20-5-4-12-28-20;1-14-3-4-15-13-18(20(26)24-11-9-23(2)10-12-24)22-19(15)25(14)17-7-5-16(21)6-8-17;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/h3-13,28H,1H2,2H3,(H,27,30);6-11,13,15,20,25H,3-5,12,14H2,1-2H3,(H,24,27);3-8,13,22H,1,9-12H2,2H3;2-10,21H,1H2,(H,20,22,24)
• InChIKey: AOINJPQGCPAZJB-UHFFFAOYSA-N
• XLogP: 18.55
• TPSA: 252.46 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1604.68
LogP ≤ 5	18.55
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The IUPAC name of [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 157178874) is [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is C=C1C=Cc2cc(C(=O)N3CCN(C)CC3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)NCC3CCCO3)[nH]c2N1c1ccc(OC(C)C)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(S(C)(=O)=O)c3)[nH]c2N1c1ccc(C(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)Nc3nccs3)[nH]c2N1c1ccc(Cl)cc1.

What is the InChIKey of [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The InChIKey is AOINJPQGCPAZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3S.C23H27N3O3.C20H21ClN4O.C18H13ClN4OS/c1-14-6-7-15-12-20(22(30)27-17-4-3-5-19(13-17)33(2,31)32)28-21(15)29(14)18-10-8-16(9-11-18)23(24,25)26;1-15(2)29-19-10-8-18(9-11-19)26-16(3)6-7-17-13-21(25-22(17)26)23(27)24-14-20-5-4-12-28-20;1-14-3-4-15-13-18(20(26)24-11-9-23(2)10-12-24)22-19(15)25(14)17-7-5-16(21)6-8-17;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/h3-13,28H,1H2,2H3,(H,27,30);6-11,13,15,20,25H,3-5,12,14H2,1-2H3,(H,24,27);3-8,13,22H,1,9-12H2,2H3;2-10,21H,1H2,(H,20,22,24).

What are the key properties of [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 1604.68 g/mol, XLogP of 18.55, 15 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 157178874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).