tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;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

C81H91Cl4N15O3 — CID 161151660

About tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;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

tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;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 (PubChem CID 161151660) has the molecular formula C81H91Cl4N15O3 and a molecular weight of 1464.53 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-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;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.

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-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;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
• PubChem CID: 161151660
• Molecular Formula: C81H91Cl4N15O3
• Molecular Weight: 1464.53 g/mol
• Exact Mass: 1461.62
• IUPAC Name: tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;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
• SMILES: CC(C)(C)OC(=O)N1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.Clc1ccc(-n2cc(CN3CCNCC3)c3ccncc32)cc1.OCCC1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
• InChI: InChI=1S/C23H27ClN4O2.C21H24ClN3O.C19H21ClN4.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;1-22-8-10-23(11-9-22)13-15-14-24(17-4-2-16(20)3-5-17)19-12-21-7-6-18(15)19;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;2-7,12,14H,8-11,13H2,1H3;1-6,11,13,20H,7-10,12H2
• InChIKey: UOTLAOLHWAZWOI-UHFFFAOYSA-N
• XLogP: 15.52
• TPSA: 149.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1464.53
LogP ≤ 5	15.52
H-Bond Donors ≤ 5	2
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-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;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?

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-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;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 (CID 161151660) is tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;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.

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-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;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?

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-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;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 is CC(C)(C)OC(=O)N1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.Clc1ccc(-n2cc(CN3CCNCC3)c3ccncc32)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-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;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?

The InChIKey is UOTLAOLHWAZWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2.C21H24ClN3O.C19H21ClN4.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;1-22-8-10-23(11-9-22)13-15-14-24(17-4-2-16(20)3-5-17)19-12-21-7-6-18(15)19;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;2-7,12,14H,8-11,13H2,1H3;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-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;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?

tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;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 has a molecular weight of 1464.53 g/mol, XLogP of 15.52, 14 rotatable bonds, 2 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-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;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 is sourced from PubChem (CID 161151660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).