tert-butyl N-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexyl]carbamate;1-(4-chlorophenyl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone

C117H120Cl8N18O4 — CID 157072313

About tert-butyl N-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexyl]carbamate;1-(4-chlorophenyl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone

tert-butyl N-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexyl]carbamate;1-(4-chlorophenyl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone (PubChem CID 157072313) has the molecular formula C117H120Cl8N18O4 and a molecular weight of 2125.99 g/mol. Its IUPAC name is tert-butyl N-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexyl]carbamate;1-(4-chlorophenyl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

• Compound Name: tert-butyl N-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexyl]carbamate;1-(4-chlorophenyl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone
• PubChem CID: 157072313
• Molecular Formula: C117H120Cl8N18O4
• Molecular Weight: 2125.99 g/mol
• Exact Mass: 2120.72
• IUPAC Name: tert-butyl N-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexyl]carbamate;1-(4-chlorophenyl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone
• SMILES: CC(C)(C)OC(=O)NC1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.Clc1ccc(-c2cn(C3CCNCC3)c3ccncc23)cc1.Clc1ccc(-c2cn(C3CCNCC3)c3ccncc23)cc1Cl.Clc1ccc(-n2cc(C3CCNCC3)c3ccncc32)cc1.NC1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(CO)N1CCC(n2cc(-c3ccc(Cl)c(Cl)c3)c3cnccc32)CC1
• InChI: InChI=1S/C24H28ClN3O2.C20H19Cl2N3O2.C19H20ClN3.C18H17Cl2N3.2C18H18ClN3/c1-24(2,3)30-23(29)27-18-8-4-16(5-9-18)21-15-28(19-10-6-17(25)7-11-19)22-14-26-13-12-20(21)22;21-17-2-1-13(9-18(17)22)16-11-25(19-3-6-23-10-15(16)19)14-4-7-24(8-5-14)20(27)12-26;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;19-16-2-1-12(9-17(16)20)15-11-23(13-3-6-21-7-4-13)18-5-8-22-10-14(15)18;19-14-1-3-15(4-2-14)22-12-17(13-5-8-20-9-6-13)16-7-10-21-11-18(16)22;19-14-3-1-13(2-4-14)17-12-22(15-5-8-20-9-6-15)18-7-10-21-11-16(17)18/h6-7,10-16,18H,4-5,8-9H2,1-3H3,(H,27,29);1-3,6,9-11,14,26H,4-5,7-8,12H2;3-4,7-13,15H,1-2,5-6,21H2;1-2,5,8-11,13,21H,3-4,6-7H2;1-4,7,10-13,20H,5-6,8-9H2;1-4,7,10-12,15,20H,5-6,8-9H2
• InChIKey: ACOMMGONUJPMRU-UHFFFAOYSA-N
• XLogP: 28.42
• TPSA: 247.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2125.99
LogP ≤ 5	28.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexyl]carbamate;1-(4-chlorophenyl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone?

The IUPAC name of tert-butyl N-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexyl]carbamate;1-(4-chlorophenyl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone (CID 157072313) is tert-butyl N-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexyl]carbamate;1-(4-chlorophenyl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone.

What is the SMILES notation for tert-butyl N-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexyl]carbamate;1-(4-chlorophenyl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone?

The canonical SMILES for tert-butyl N-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexyl]carbamate;1-(4-chlorophenyl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone is CC(C)(C)OC(=O)NC1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.Clc1ccc(-c2cn(C3CCNCC3)c3ccncc23)cc1.Clc1ccc(-c2cn(C3CCNCC3)c3ccncc23)cc1Cl.Clc1ccc(-n2cc(C3CCNCC3)c3ccncc32)cc1.NC1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(CO)N1CCC(n2cc(-c3ccc(Cl)c(Cl)c3)c3cnccc32)CC1.

What is the InChIKey of tert-butyl N-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexyl]carbamate;1-(4-chlorophenyl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone?

The InChIKey is ACOMMGONUJPMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2.C20H19Cl2N3O2.C19H20ClN3.C18H17Cl2N3.2C18H18ClN3/c1-24(2,3)30-23(29)27-18-8-4-16(5-9-18)21-15-28(19-10-6-17(25)7-11-19)22-14-26-13-12-20(21)22;21-17-2-1-13(9-18(17)22)16-11-25(19-3-6-23-10-15(16)19)14-4-7-24(8-5-14)20(27)12-26;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;19-16-2-1-12(9-17(16)20)15-11-23(13-3-6-21-7-4-13)18-5-8-22-10-14(15)18;19-14-1-3-15(4-2-14)22-12-17(13-5-8-20-9-6-13)16-7-10-21-11-18(16)22;19-14-3-1-13(2-4-14)17-12-22(15-5-8-20-9-6-15)18-7-10-21-11-16(17)18/h6-7,10-16,18H,4-5,8-9H2,1-3H3,(H,27,29);1-3,6,9-11,14,26H,4-5,7-8,12H2;3-4,7-13,15H,1-2,5-6,21H2;1-2,5,8-11,13,21H,3-4,6-7H2;1-4,7,10-13,20H,5-6,8-9H2;1-4,7,10-12,15,20H,5-6,8-9H2.

What are the key properties of tert-butyl N-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexyl]carbamate;1-(4-chlorophenyl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone?

tert-butyl N-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexyl]carbamate;1-(4-chlorophenyl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 2125.99 g/mol, XLogP of 28.42, 14 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexyl]carbamate;1-(4-chlorophenyl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 157072313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).