2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;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;hydrochloride

C101H109Cl6N17O4 — CID 160517458

About 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;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;hydrochloride

2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;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;hydrochloride (PubChem CID 160517458) has the molecular formula C101H109Cl6N17O4 and a molecular weight of 1837.82 g/mol. Its IUPAC name is 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;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;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;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;hydrochloride
• PubChem CID: 160517458
• Molecular Formula: C101H109Cl6N17O4
• Molecular Weight: 1837.82 g/mol
• Exact Mass: 1833.70
• IUPAC Name: 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;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;hydrochloride
• SMILES: CN(C)CC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.Cc1cc(Cl)ccc1-n1cc(C2CCC(N)CC2)c2ccncc21.Cl.NC1CCC(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/C22H25ClN4O.C20H21ClN4O.C20H20ClN3O2.C20H22ClN3.C19H20ClN3.ClH/c1-25(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;1-13-10-15(21)4-7-19(13)24-12-18(14-2-5-16(22)6-3-14)17-8-9-23-11-20(17)24;20-14-3-7-16(8-4-14)23-12-18(13-1-5-15(21)6-2-13)17-9-10-22-11-19(17)23;/h3-7,10,13-14,16H,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;4,7-12,14,16H,2-3,5-6,22H2,1H3;3-4,7-13,15H,1-2,5-6,21H2;1H
• InChIKey: TXPHOUNFOOXTEY-UHFFFAOYSA-N
• XLogP: 20.73
• TPSA: 251.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1837.82
LogP ≤ 5	20.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

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;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;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;hydrochloride?

The IUPAC name of 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;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;hydrochloride (CID 160517458) is 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;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;hydrochloride.

What is the SMILES notation for 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;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;hydrochloride?

The canonical SMILES for 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;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;hydrochloride is CN(C)CC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.Cc1cc(Cl)ccc1-n1cc(C2CCC(N)CC2)c2ccncc21.Cl.NC1CCC(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;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;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;hydrochloride?

The InChIKey is TXPHOUNFOOXTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O.C20H21ClN4O.C20H20ClN3O2.C20H22ClN3.C19H20ClN3.ClH/c1-25(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;1-13-10-15(21)4-7-19(13)24-12-18(14-2-5-16(22)6-3-14)17-8-9-23-11-20(17)24;20-14-3-7-16(8-4-14)23-12-18(13-1-5-15(21)6-2-13)17-9-10-22-11-19(17)23;/h3-7,10,13-14,16H,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;4,7-12,14,16H,2-3,5-6,22H2,1H3;3-4,7-13,15H,1-2,5-6,21H2;1H.

What are the key properties of 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;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;hydrochloride?

2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;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;hydrochloride has a molecular weight of 1837.82 g/mol, XLogP of 20.73, 14 rotatable bonds, 4 hydrogen bond donors, and 18 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;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;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;hydrochloride is sourced from PubChem (CID 160517458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).