N-[2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;1,1,1-triiodoethane

C68H81Cl4I3N10O8S3 — CID 158265151

About N-[2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;1,1,1-triiodoethane

N-[2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;1,1,1-triiodoethane (PubChem CID 158265151) has the molecular formula C68H81Cl4I3N10O8S3 and a molecular weight of 1785.18 g/mol. Its IUPAC name is N-[2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;1,1,1-triiodoethane.

Molecular Properties

• Compound Name: N-[2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;1,1,1-triiodoethane
• PubChem CID: 158265151
• Molecular Formula: C68H81Cl4I3N10O8S3
• Molecular Weight: 1785.18 g/mol
• Exact Mass: 1782.13
• IUPAC Name: N-[2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;1,1,1-triiodoethane
• SMILES: CC(I)(I)I.CCN(CCc1cnc2c(C(=O)CCl)c(C)n(-c3ccc(Cl)cc3)c2c1)S(C)(=O)=O.CCN(CCc1cnc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(Cl)cc3)c2c1)S(C)(=O)=O.CCN(CCc1cnc2cc(C)n(-c3ccc(Cl)cc3)c2c1)S(C)(=O)=O
• InChI: InChI=1S/C26H33ClN4O3S.C21H23Cl2N3O3S.C19H22ClN3O2S.C2H3I3/c1-4-30(35(3,33)34)15-12-20-16-23-26(28-17-20)25(24(32)18-29-13-6-5-7-14-29)19(2)31(23)22-10-8-21(27)9-11-22;1-4-25(30(3,28)29)10-9-15-11-18-21(24-13-15)20(19(27)12-22)14(2)26(18)17-7-5-16(23)6-8-17;1-4-22(26(3,24)25)10-9-15-12-19-18(21-13-15)11-14(2)23(19)17-7-5-16(20)6-8-17;1-2(3,4)5/h8-11,16-17H,4-7,12-15,18H2,1-3H3;5-8,11,13H,4,9-10,12H2,1-3H3;5-8,11-13H,4,9-10H2,1-3H3;1H3
• InChIKey: GIIPNNFAUAIODB-UHFFFAOYSA-N
• XLogP: 15.49
• TPSA: 202.98 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 23
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1785.18
LogP ≤ 5	15.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;1,1,1-triiodoethane?

The IUPAC name of N-[2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;1,1,1-triiodoethane (CID 158265151) is N-[2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;1,1,1-triiodoethane.

What is the SMILES notation for N-[2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;1,1,1-triiodoethane?

The canonical SMILES for N-[2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;1,1,1-triiodoethane is CC(I)(I)I.CCN(CCc1cnc2c(C(=O)CCl)c(C)n(-c3ccc(Cl)cc3)c2c1)S(C)(=O)=O.CCN(CCc1cnc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(Cl)cc3)c2c1)S(C)(=O)=O.CCN(CCc1cnc2cc(C)n(-c3ccc(Cl)cc3)c2c1)S(C)(=O)=O.

What is the InChIKey of N-[2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;1,1,1-triiodoethane?

The InChIKey is GIIPNNFAUAIODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN4O3S.C21H23Cl2N3O3S.C19H22ClN3O2S.C2H3I3/c1-4-30(35(3,33)34)15-12-20-16-23-26(28-17-20)25(24(32)18-29-13-6-5-7-14-29)19(2)31(23)22-10-8-21(27)9-11-22;1-4-25(30(3,28)29)10-9-15-11-18-21(24-13-15)20(19(27)12-22)14(2)26(18)17-7-5-16(23)6-8-17;1-4-22(26(3,24)25)10-9-15-12-19-18(21-13-15)11-14(2)23(19)17-7-5-16(20)6-8-17;1-2(3,4)5/h8-11,16-17H,4-7,12-15,18H2,1-3H3;5-8,11,13H,4,9-10,12H2,1-3H3;5-8,11-13H,4,9-10H2,1-3H3;1H3.

What are the key properties of N-[2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;1,1,1-triiodoethane?

N-[2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;1,1,1-triiodoethane has a molecular weight of 1785.18 g/mol, XLogP of 15.49, 23 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;N-[2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethyl]-N-ethylmethanesulfonamide;1,1,1-triiodoethane is sourced from PubChem (CID 158265151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).