2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;4-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butanenitrile;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;trihydrochloride

C109H119Cl8N21O3 — CID 158750962

About 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;4-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butanenitrile;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;trihydrochloride

2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;4-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butanenitrile;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;trihydrochloride (PubChem CID 158750962) has the molecular formula C109H119Cl8N21O3 and a molecular weight of 2054.92 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 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;4-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butanenitrile;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;trihydrochloride.

Molecular Properties

• Compound Name: 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;4-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butanenitrile;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;trihydrochloride
• PubChem CID: 158750962
• Molecular Formula: C109H119Cl8N21O3
• Molecular Weight: 2054.92 g/mol
• Exact Mass: 2049.73
• IUPAC Name: 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;4-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butanenitrile;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;trihydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.Cl.Cl.Cl.Cn1cc(CN2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)cn1.N#CCCCN1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.N#CCCN1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.NCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
• InChI: InChI=1S/C23H24ClN5.C23H27ClN4O2.C22H23ClN4.C21H21ClN4.C20H21ClN4O.3ClH/c1-27-14-17(12-26-27)15-28-10-7-18(8-11-28)22-16-29(20-4-2-19(24)3-5-20)23-13-25-9-6-21(22)23;1-23(2,3)30-22(29)27-12-10-26(11-13-27)15-17-16-28(19-6-4-18(24)5-7-19)21-14-25-9-8-20(17)21;23-18-3-5-19(6-4-18)27-16-21(20-7-11-25-15-22(20)27)17-8-13-26(14-9-17)12-2-1-10-24;22-17-2-4-18(5-3-17)26-15-20(19-6-10-24-14-21(19)26)16-7-12-25(13-8-16)11-1-9-23;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;;;/h2-6,9,12-14,16,18H,7-8,10-11,15H2,1H3;4-9,14,16H,10-13,15H2,1-3H3;3-7,11,15-17H,1-2,8-9,12-14H2;2-6,10,14-16H,1,7-8,11-13H2;1-5,8,12-14H,6-7,9-11,22H2;3*1H
• InChIKey: DLCLOKACBURLPE-UHFFFAOYSA-N
• XLogP: 24.07
• TPSA: 243.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2054.92
LogP ≤ 5	24.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

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 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;4-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butanenitrile;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;trihydrochloride?

The IUPAC name of 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;4-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butanenitrile;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;trihydrochloride (CID 158750962) is 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;4-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butanenitrile;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;trihydrochloride.

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 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;4-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butanenitrile;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;trihydrochloride?

The canonical SMILES for 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;4-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butanenitrile;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;trihydrochloride is CC(C)(C)OC(=O)N1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.Cl.Cl.Cl.Cn1cc(CN2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)cn1.N#CCCCN1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.N#CCCN1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.NCC(=O)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 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;4-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butanenitrile;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;trihydrochloride?

The InChIKey is DLCLOKACBURLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5.C23H27ClN4O2.C22H23ClN4.C21H21ClN4.C20H21ClN4O.3ClH/c1-27-14-17(12-26-27)15-28-10-7-18(8-11-28)22-16-29(20-4-2-19(24)3-5-20)23-13-25-9-6-21(22)23;1-23(2,3)30-22(29)27-12-10-26(11-13-27)15-17-16-28(19-6-4-18(24)5-7-19)21-14-25-9-8-20(17)21;23-18-3-5-19(6-4-18)27-16-21(20-7-11-25-15-22(20)27)17-8-13-26(14-9-17)12-2-1-10-24;22-17-2-4-18(5-3-17)26-15-20(19-6-10-24-14-21(19)26)16-7-12-25(13-8-16)11-1-9-23;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;;;/h2-6,9,12-14,16,18H,7-8,10-11,15H2,1H3;4-9,14,16H,10-13,15H2,1-3H3;3-7,11,15-17H,1-2,8-9,12-14H2;2-6,10,14-16H,1,7-8,11-13H2;1-5,8,12-14H,6-7,9-11,22H2;3*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;tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;4-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butanenitrile;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;trihydrochloride?

2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;4-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butanenitrile;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;trihydrochloride has a molecular weight of 2054.92 g/mol, XLogP of 24.07, 19 rotatable bonds, 1 hydrogen bond donors, and 22 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 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;4-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butanenitrile;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;trihydrochloride is sourced from PubChem (CID 158750962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).