tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidine-1-carboxylate;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-yl)pyrrolo[3,2-c]pyridine;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine

C117H117Cl6N15O7 — CID 159260637

About tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidine-1-carboxylate;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-yl)pyrrolo[3,2-c]pyridine;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine

tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidine-1-carboxylate;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-yl)pyrrolo[3,2-c]pyridine;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine (PubChem CID 159260637) has the molecular formula C117H117Cl6N15O7 and a molecular weight of 2058.04 g/mol. Its IUPAC name is tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidine-1-carboxylate;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-yl)pyrrolo[3,2-c]pyridine;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine.

Molecular Properties

• Compound Name: tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidine-1-carboxylate;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-yl)pyrrolo[3,2-c]pyridine;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine
• PubChem CID: 159260637
• Molecular Formula: C117H117Cl6N15O7
• Molecular Weight: 2058.04 g/mol
• Exact Mass: 2053.74
• IUPAC Name: tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidine-1-carboxylate;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-yl)pyrrolo[3,2-c]pyridine;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine
• SMILES: CC(C)(C)OC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(Cl)cc3)c3cnccc32)CC1.Clc1ccc(-c2cn(C3CCOC3)c3ccncc23)cc1.Clc1ccc(-c2cn(C3CCOCC3)c3ccncc23)cc1.Clc1ccc(-c2cn(CC3CCOC3)c3ccncc23)cc1.Clc1ccc(-n2cc(C3=CCNCC3)c3ccncc32)cc1
• InChI: InChI=1S/2C23H26ClN3O2.C18H16ClN3.2C18H17ClN2O.C17H15ClN2O/c1-23(2,3)29-22(28)26-12-9-16(10-13-26)20-15-27(18-6-4-17(24)5-7-18)21-14-25-11-8-19(20)21;1-23(2,3)29-22(28)26-12-9-18(10-13-26)27-15-20(16-4-6-17(24)7-5-16)19-14-25-11-8-21(19)27;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)17-12-21(15-6-9-22-10-7-15)18-5-8-20-11-16(17)18;19-15-3-1-14(2-4-15)17-11-21(10-13-6-8-22-12-13)18-5-7-20-9-16(17)18;18-13-3-1-12(2-4-13)16-10-20(14-6-8-21-11-14)17-5-7-19-9-15(16)17/h4-8,11,14-16H,9-10,12-13H2,1-3H3;4-8,11,14-15,18H,9-10,12-13H2,1-3H3;1-5,7,10-12,20H,6,8-9H2;1-5,8,11-12,15H,6-7,9-10H2;1-5,7,9,11,13H,6,8,10,12H2;1-5,7,9-10,14H,6,8,11H2
• InChIKey: KWLQKQLWNHVHDF-UHFFFAOYSA-N
• XLogP: 29.20
• TPSA: 205.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2058.04
LogP ≤ 5	29.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidine-1-carboxylate;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-yl)pyrrolo[3,2-c]pyridine;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine?

The IUPAC name of tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidine-1-carboxylate;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-yl)pyrrolo[3,2-c]pyridine;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine (CID 159260637) is tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidine-1-carboxylate;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-yl)pyrrolo[3,2-c]pyridine;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine.

What is the SMILES notation for tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidine-1-carboxylate;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-yl)pyrrolo[3,2-c]pyridine;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine?

The canonical SMILES for tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidine-1-carboxylate;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-yl)pyrrolo[3,2-c]pyridine;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine is CC(C)(C)OC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(Cl)cc3)c3cnccc32)CC1.Clc1ccc(-c2cn(C3CCOC3)c3ccncc23)cc1.Clc1ccc(-c2cn(C3CCOCC3)c3ccncc23)cc1.Clc1ccc(-c2cn(CC3CCOC3)c3ccncc23)cc1.Clc1ccc(-n2cc(C3=CCNCC3)c3ccncc32)cc1.

What is the InChIKey of tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidine-1-carboxylate;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-yl)pyrrolo[3,2-c]pyridine;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine?

The InChIKey is KWLQKQLWNHVHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H26ClN3O2.C18H16ClN3.2C18H17ClN2O.C17H15ClN2O/c1-23(2,3)29-22(28)26-12-9-16(10-13-26)20-15-27(18-6-4-17(24)5-7-18)21-14-25-11-8-19(20)21;1-23(2,3)29-22(28)26-12-9-18(10-13-26)27-15-20(16-4-6-17(24)7-5-16)19-14-25-11-8-21(19)27;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)17-12-21(15-6-9-22-10-7-15)18-5-8-20-11-16(17)18;19-15-3-1-14(2-4-15)17-11-21(10-13-6-8-22-12-13)18-5-7-20-9-16(17)18;18-13-3-1-12(2-4-13)16-10-20(14-6-8-21-11-14)17-5-7-19-9-15(16)17/h4-8,11,14-16H,9-10,12-13H2,1-3H3;4-8,11,14-15,18H,9-10,12-13H2,1-3H3;1-5,7,10-12,20H,6,8-9H2;1-5,8,11-12,15H,6-7,9-10H2;1-5,7,9,11,13H,6,8,10,12H2;1-5,7,9-10,14H,6,8,11H2.

What are the key properties of tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidine-1-carboxylate;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-yl)pyrrolo[3,2-c]pyridine;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine?

tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidine-1-carboxylate;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-yl)pyrrolo[3,2-c]pyridine;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine has a molecular weight of 2058.04 g/mol, XLogP of 29.20, 13 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidine-1-carboxylate;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-yl)pyrrolo[3,2-c]pyridine;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 159260637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).