N-ethyl-N-[2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]methanesulfonamide;1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-[(2S)-2-methylpiperidin-1-yl]ethanone;1-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]octan-3-one;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-1-pyrrolidin-1-ylethanone

C109H126N18O8S — CID 157276278

About N-ethyl-N-[2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]methanesulfonamide;1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-[(2S)-2-methylpiperidin-1-yl]ethanone;1-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]octan-3-one;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-1-pyrrolidin-1-ylethanone

N-ethyl-N-[2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]methanesulfonamide;1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-[(2S)-2-methylpiperidin-1-yl]ethanone;1-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]octan-3-one;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 157276278) has the molecular formula C109H126N18O8S and a molecular weight of 1848.39 g/mol. Its IUPAC name is N-ethyl-N-[2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]methanesulfonamide;1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-[(2S)-2-methylpiperidin-1-yl]ethanone;1-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]octan-3-one;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

• Compound Name: N-ethyl-N-[2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]methanesulfonamide;1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-[(2S)-2-methylpiperidin-1-yl]ethanone;1-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]octan-3-one;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-1-pyrrolidin-1-ylethanone
• PubChem CID: 157276278
• Molecular Formula: C109H126N18O8S
• Molecular Weight: 1848.39 g/mol
• Exact Mass: 1846.97
• IUPAC Name: N-ethyl-N-[2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]methanesulfonamide;1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-[(2S)-2-methylpiperidin-1-yl]ethanone;1-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]octan-3-one;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-1-pyrrolidin-1-ylethanone
• SMILES: [C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CC(=O)N4CCCC4)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CCC(=O)CCCCC)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CCN(CC)S(C)(=O)=O)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCC[C@@H]3C)c3ncc(C)cc32)cc1
• InChI: InChI=1S/C30H36N4O2.C28H31N5O2.C27H33N5O3S.C24H26N4O/c1-4-5-7-10-26(35)16-11-23-19-27-30(32-20-23)29(28(36)21-33-17-8-6-9-18-33)22(2)34(27)25-14-12-24(31-3)13-15-25;1-20-27(25(34)19-31-12-4-3-5-13-31)28-24(33(20)23-10-8-22(29-2)9-11-23)16-21(18-30-28)17-26(35)32-14-6-7-15-32;1-5-31(36(4,34)35)16-13-21-17-24-27(29-18-21)26(25(33)19-30-14-7-6-8-15-30)20(2)32(24)23-11-9-22(28-3)10-12-23;1-16-13-21-24(26-14-16)23(22(29)15-27-12-6-5-7-17(27)2)18(3)28(21)20-10-8-19(25-4)9-11-20/h12-15,19-20H,4-11,16-18,21H2,1-2H3;8-11,16,18H,3-7,12-15,17,19H2,1H3;9-12,17-18H,5-8,13-16,19H2,1-2,4H3;8-11,13-14,17H,5-7,12,15H2,1-3H3/t;;;17-/m...0/s1
• InChIKey: AZDISFNZRIUYME-NJYUFCOESA-N
• XLogP: 20.98
• TPSA: 244.72 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 30
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1848.39
LogP ≤ 5	20.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]methanesulfonamide;1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-[(2S)-2-methylpiperidin-1-yl]ethanone;1-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]octan-3-one;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-1-pyrrolidin-1-ylethanone?

The IUPAC name of N-ethyl-N-[2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]methanesulfonamide;1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-[(2S)-2-methylpiperidin-1-yl]ethanone;1-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]octan-3-one;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-1-pyrrolidin-1-ylethanone (CID 157276278) is N-ethyl-N-[2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]methanesulfonamide;1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-[(2S)-2-methylpiperidin-1-yl]ethanone;1-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]octan-3-one;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-1-pyrrolidin-1-ylethanone.

What is the SMILES notation for N-ethyl-N-[2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]methanesulfonamide;1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-[(2S)-2-methylpiperidin-1-yl]ethanone;1-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]octan-3-one;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-1-pyrrolidin-1-ylethanone?

The canonical SMILES for N-ethyl-N-[2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]methanesulfonamide;1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-[(2S)-2-methylpiperidin-1-yl]ethanone;1-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]octan-3-one;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-1-pyrrolidin-1-ylethanone is [C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CC(=O)N4CCCC4)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CCC(=O)CCCCC)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CCN(CC)S(C)(=O)=O)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCC[C@@H]3C)c3ncc(C)cc32)cc1.

What is the InChIKey of N-ethyl-N-[2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]methanesulfonamide;1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-[(2S)-2-methylpiperidin-1-yl]ethanone;1-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]octan-3-one;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-1-pyrrolidin-1-ylethanone?

The InChIKey is AZDISFNZRIUYME-NJYUFCOESA-N. The full InChI is InChI=1S/C30H36N4O2.C28H31N5O2.C27H33N5O3S.C24H26N4O/c1-4-5-7-10-26(35)16-11-23-19-27-30(32-20-23)29(28(36)21-33-17-8-6-9-18-33)22(2)34(27)25-14-12-24(31-3)13-15-25;1-20-27(25(34)19-31-12-4-3-5-13-31)28-24(33(20)23-10-8-22(29-2)9-11-23)16-21(18-30-28)17-26(35)32-14-6-7-15-32;1-5-31(36(4,34)35)16-13-21-17-24-27(29-18-21)26(25(33)19-30-14-7-6-8-15-30)20(2)32(24)23-11-9-22(28-3)10-12-23;1-16-13-21-24(26-14-16)23(22(29)15-27-12-6-5-7-17(27)2)18(3)28(21)20-10-8-19(25-4)9-11-20/h12-15,19-20H,4-11,16-18,21H2,1-2H3;8-11,16,18H,3-7,12-15,17,19H2,1H3;9-12,17-18H,5-8,13-16,19H2,1-2,4H3;8-11,13-14,17H,5-7,12,15H2,1-3H3/t;;;17-/m...0/s1.

What are the key properties of N-ethyl-N-[2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]methanesulfonamide;1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-[(2S)-2-methylpiperidin-1-yl]ethanone;1-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]octan-3-one;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-1-pyrrolidin-1-ylethanone?

N-ethyl-N-[2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]methanesulfonamide;1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-[(2S)-2-methylpiperidin-1-yl]ethanone;1-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]octan-3-one;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 1848.39 g/mol, XLogP of 20.98, 30 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-[2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]methanesulfonamide;1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-[(2S)-2-methylpiperidin-1-yl]ethanone;1-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]octan-3-one;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 157276278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).