1-[1-(4-chlorophenyl)-2,5-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanoate;1-[5-ethyl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;4-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]butan-2-one;1-[1-(4-isocyanophenyl)-2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-isocyanophenyl)-2,5,6-trimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone

C149H161ClN26O9 — CID 158113477

About 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanoate;1-[5-ethyl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;4-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]butan-2-one;1-[1-(4-isocyanophenyl)-2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-isocyanophenyl)-2,5,6-trimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone

1-[1-(4-chlorophenyl)-2,5-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanoate;1-[5-ethyl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;4-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]butan-2-one;1-[1-(4-isocyanophenyl)-2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-isocyanophenyl)-2,5,6-trimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone (PubChem CID 158113477) has the molecular formula C149H161ClN26O9 and a molecular weight of 2495.55 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanoate;1-[5-ethyl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;4-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]butan-2-one;1-[1-(4-isocyanophenyl)-2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-isocyanophenyl)-2,5,6-trimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone.

Molecular Properties

• Compound Name: 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanoate;1-[5-ethyl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;4-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]butan-2-one;1-[1-(4-isocyanophenyl)-2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-isocyanophenyl)-2,5,6-trimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone
• PubChem CID: 158113477
• Molecular Formula: C149H161ClN26O9
• Molecular Weight: 2495.55 g/mol
• Exact Mass: 2493.26
• IUPAC Name: 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanoate;1-[5-ethyl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;4-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]butan-2-one;1-[1-(4-isocyanophenyl)-2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-isocyanophenyl)-2,5,6-trimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone
• SMILES: Cc1ccc2c(n1)c(C(=O)CN1CCCCC1)c(C)n2-c1ccc(Cl)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3nc(-n4nccn4)ccc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3nc(C)c(C)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3nc(C)c(CCC(=O)OCC)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3nc(C)c(CCC(C)=O)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3nc(CC)ccc32)cc1
• InChI: InChI=1S/C28H32N4O3.C27H30N4O2.C24H23N7O.2C24H26N4O.C22H24ClN3O/c1-5-35-26(34)14-9-21-17-24-28(30-19(21)2)27(25(33)18-31-15-7-6-8-16-31)20(3)32(24)23-12-10-22(29-4)11-13-23;1-18(32)8-9-21-16-24-27(29-19(21)2)26(25(33)17-30-14-6-5-7-15-30)20(3)31(24)23-12-10-22(28-4)11-13-23;1-17-23(21(32)16-29-14-4-3-5-15-29)24-20(10-11-22(28-24)31-26-12-13-27-31)30(17)19-8-6-18(25-2)7-9-19;1-16-14-21-24(26-17(16)2)23(22(29)15-27-12-6-5-7-13-27)18(3)28(21)20-10-8-19(25-4)9-11-20;1-4-18-10-13-21-24(26-18)23(22(29)16-27-14-6-5-7-15-27)17(2)28(21)20-11-8-19(25-3)9-12-20;1-15-6-11-19-22(24-15)21(20(27)14-25-12-4-3-5-13-25)16(2)26(19)18-9-7-17(23)8-10-18/h10-13,17H,5-9,14-16,18H2,1-3H3;10-13,16H,5-9,14-15,17H2,1-3H3;6-13H,3-5,14-16H2,1H3;8-11,14H,5-7,12-13,15H2,1-3H3;8-13H,4-7,14-16H2,1-2H3;6-11H,3-5,12-14H2,1-2H3
• InChIKey: FQSJOPIBDXWZAM-UHFFFAOYSA-N
• XLogP: 30.12
• TPSA: 324.66 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 33
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2495.55
LogP ≤ 5	30.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanoate;1-[5-ethyl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;4-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]butan-2-one;1-[1-(4-isocyanophenyl)-2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-isocyanophenyl)-2,5,6-trimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone?

The IUPAC name of 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanoate;1-[5-ethyl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;4-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]butan-2-one;1-[1-(4-isocyanophenyl)-2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-isocyanophenyl)-2,5,6-trimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone (CID 158113477) is 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanoate;1-[5-ethyl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;4-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]butan-2-one;1-[1-(4-isocyanophenyl)-2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-isocyanophenyl)-2,5,6-trimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone.

What is the SMILES notation for 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanoate;1-[5-ethyl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;4-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]butan-2-one;1-[1-(4-isocyanophenyl)-2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-isocyanophenyl)-2,5,6-trimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone?

The canonical SMILES for 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanoate;1-[5-ethyl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;4-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]butan-2-one;1-[1-(4-isocyanophenyl)-2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-isocyanophenyl)-2,5,6-trimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone is Cc1ccc2c(n1)c(C(=O)CN1CCCCC1)c(C)n2-c1ccc(Cl)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3nc(-n4nccn4)ccc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3nc(C)c(C)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3nc(C)c(CCC(=O)OCC)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3nc(C)c(CCC(C)=O)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3nc(CC)ccc32)cc1.

What is the InChIKey of 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanoate;1-[5-ethyl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;4-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]butan-2-one;1-[1-(4-isocyanophenyl)-2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-isocyanophenyl)-2,5,6-trimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone?

The InChIKey is FQSJOPIBDXWZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3.C27H30N4O2.C24H23N7O.2C24H26N4O.C22H24ClN3O/c1-5-35-26(34)14-9-21-17-24-28(30-19(21)2)27(25(33)18-31-15-7-6-8-16-31)20(3)32(24)23-12-10-22(29-4)11-13-23;1-18(32)8-9-21-16-24-27(29-19(21)2)26(25(33)17-30-14-6-5-7-15-30)20(3)31(24)23-12-10-22(28-4)11-13-23;1-17-23(21(32)16-29-14-4-3-5-15-29)24-20(10-11-22(28-24)31-26-12-13-27-31)30(17)19-8-6-18(25-2)7-9-19;1-16-14-21-24(26-17(16)2)23(22(29)15-27-12-6-5-7-13-27)18(3)28(21)20-10-8-19(25-4)9-11-20;1-4-18-10-13-21-24(26-18)23(22(29)16-27-14-6-5-7-15-27)17(2)28(21)20-11-8-19(25-3)9-12-20;1-15-6-11-19-22(24-15)21(20(27)14-25-12-4-3-5-13-25)16(2)26(19)18-9-7-17(23)8-10-18/h10-13,17H,5-9,14-16,18H2,1-3H3;10-13,16H,5-9,14-15,17H2,1-3H3;6-13H,3-5,14-16H2,1H3;8-11,14H,5-7,12-13,15H2,1-3H3;8-13H,4-7,14-16H2,1-2H3;6-11H,3-5,12-14H2,1-2H3.

What are the key properties of 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanoate;1-[5-ethyl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;4-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]butan-2-one;1-[1-(4-isocyanophenyl)-2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-isocyanophenyl)-2,5,6-trimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone?

1-[1-(4-chlorophenyl)-2,5-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanoate;1-[5-ethyl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;4-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]butan-2-one;1-[1-(4-isocyanophenyl)-2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-isocyanophenyl)-2,5,6-trimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone has a molecular weight of 2495.55 g/mol, XLogP of 30.12, 33 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanoate;1-[5-ethyl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;4-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]butan-2-one;1-[1-(4-isocyanophenyl)-2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-isocyanophenyl)-2,5,6-trimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 158113477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).