tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol

C82H92Cl4N14O4 — CID 158269683

About tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol

tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol (PubChem CID 158269683) has the molecular formula C82H92Cl4N14O4 and a molecular weight of 1479.54 g/mol. Its IUPAC name is tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

• Compound Name: tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol
• PubChem CID: 158269683
• Molecular Formula: C82H92Cl4N14O4
• Molecular Weight: 1479.54 g/mol
• Exact Mass: 1476.62
• IUPAC Name: tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol
• SMILES: CC(C)(C)OC(=O)N1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.Clc1ccc(-n2cc(CN3CCNCC3)c3ccncc32)cc1.OCC1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.OCCC1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
• InChI: InChI=1S/C23H27ClN4O2.C21H24ClN3O.C20H22ClN3O.C18H19ClN4/c1-23(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;22-18-1-3-19(4-2-18)25-15-17(20-5-9-23-13-21(20)25)14-24-10-6-16(7-11-24)8-12-26;21-17-1-3-18(4-2-17)24-13-16(19-5-8-22-11-20(19)24)12-23-9-6-15(14-25)7-10-23;19-15-1-3-16(4-2-15)23-13-14(12-22-9-7-20-8-10-22)17-5-6-21-11-18(17)23/h4-9,14,16H,10-13,15H2,1-3H3;1-5,9,13,15-16,26H,6-8,10-12,14H2;1-5,8,11,13,15,25H,6-7,9-10,12,14H2;1-6,11,13,20H,7-10,12H2
• InChIKey: GIWKWMRUMBRWBH-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 166.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1479.54
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol?

The IUPAC name of tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol (CID 158269683) is tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol.

What is the SMILES notation for tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol?

The canonical SMILES for tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol is CC(C)(C)OC(=O)N1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.Clc1ccc(-n2cc(CN3CCNCC3)c3ccncc32)cc1.OCC1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.OCCC1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.

What is the InChIKey of tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol?

The InChIKey is GIWKWMRUMBRWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2.C21H24ClN3O.C20H22ClN3O.C18H19ClN4/c1-23(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;22-18-1-3-19(4-2-18)25-15-17(20-5-9-23-13-21(20)25)14-24-10-6-16(7-11-24)8-12-26;21-17-1-3-18(4-2-17)24-13-16(19-5-8-22-11-20(19)24)12-23-9-6-15(14-25)7-10-23;19-15-1-3-16(4-2-15)23-13-14(12-22-9-7-20-8-10-22)17-5-6-21-11-18(17)23/h4-9,14,16H,10-13,15H2,1-3H3;1-5,9,13,15-16,26H,6-8,10-12,14H2;1-5,8,11,13,15,25H,6-7,9-10,12,14H2;1-6,11,13,20H,7-10,12H2.

What are the key properties of tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol?

tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 1479.54 g/mol, XLogP of 15.97, 15 rotatable bonds, 3 hydrogen bond donors, and 17 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]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 158269683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).