2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone

C89H98Cl4N14O7 — CID 157217898

About 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone

2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone (PubChem CID 157217898) has the molecular formula C89H98Cl4N14O7 and a molecular weight of 1617.67 g/mol. Its IUPAC name is 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

• Compound Name: 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone
• PubChem CID: 157217898
• Molecular Formula: C89H98Cl4N14O7
• Molecular Weight: 1617.67 g/mol
• Exact Mass: 1614.65
• IUPAC Name: 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone
• SMILES: CC(C)(C)OC(=O)CCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN(C)CC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.NCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(CO)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
• InChI: InChI=1S/C27H32ClN3O3.C22H25ClN4O.C20H21ClN4O.C20H20ClN3O2/c1-27(2,3)34-26(33)6-4-5-25(32)30-15-12-19(13-16-30)23-18-31(21-9-7-20(28)8-10-21)24-17-29-14-11-22(23)24;1-25(2)15-22(28)26-11-8-16(9-12-26)20-14-27(18-5-3-17(23)4-6-18)21-13-24-10-7-19(20)21;21-15-1-3-16(4-2-15)25-13-18(17-5-8-23-12-19(17)25)14-6-9-24(10-7-14)20(26)11-22;21-15-1-3-16(4-2-15)24-12-18(17-5-8-22-11-19(17)24)14-6-9-23(10-7-14)20(26)13-25/h7-11,14,17-19H,4-6,12-13,15-16H2,1-3H3;3-7,10,13-14,16H,8-9,11-12,15H2,1-2H3;1-5,8,12-14H,6-7,9-11,22H2;1-5,8,11-12,14,25H,6-7,9-10,13H2
• InChIKey: ASQCXPQKUQYXLX-UHFFFAOYSA-N
• XLogP: 16.56
• TPSA: 228.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1617.67
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone?

The IUPAC name of 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone (CID 157217898) is 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone.

What is the SMILES notation for 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone?

The canonical SMILES for 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone is CC(C)(C)OC(=O)CCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN(C)CC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.NCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(CO)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.

What is the InChIKey of 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone?

The InChIKey is ASQCXPQKUQYXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O3.C22H25ClN4O.C20H21ClN4O.C20H20ClN3O2/c1-27(2,3)34-26(33)6-4-5-25(32)30-15-12-19(13-16-30)23-18-31(21-9-7-20(28)8-10-21)24-17-29-14-11-22(23)24;1-25(2)15-22(28)26-11-8-16(9-12-26)20-14-27(18-5-3-17(23)4-6-18)21-13-24-10-7-19(20)21;21-15-1-3-16(4-2-15)25-13-18(17-5-8-23-12-19(17)25)14-6-9-24(10-7-14)20(26)11-22;21-15-1-3-16(4-2-15)24-12-18(17-5-8-22-11-19(17)24)14-6-9-23(10-7-14)20(26)13-25/h7-11,14,17-19H,4-6,12-13,15-16H2,1-3H3;3-7,10,13-14,16H,8-9,11-12,15H2,1-2H3;1-5,8,12-14H,6-7,9-11,22H2;1-5,8,11-12,14,25H,6-7,9-10,13H2.

What are the key properties of 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone?

2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 1617.67 g/mol, XLogP of 16.56, 16 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 157217898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).