1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)pyrrolo[2,3-c]pyridine-3-carbaldehyde;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;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

C113H109Cl6N21O2 — CID 158103226

About 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)pyrrolo[2,3-c]pyridine-3-carbaldehyde;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;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

1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)pyrrolo[2,3-c]pyridine-3-carbaldehyde;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;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 (PubChem CID 158103226) has the molecular formula C113H109Cl6N21O2 and a molecular weight of 2005.98 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)pyrrolo[2,3-c]pyridine-3-carbaldehyde;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;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.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)pyrrolo[2,3-c]pyridine-3-carbaldehyde;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;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
• PubChem CID: 158103226
• Molecular Formula: C113H109Cl6N21O2
• Molecular Weight: 2005.98 g/mol
• Exact Mass: 2001.72
• IUPAC Name: 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)pyrrolo[2,3-c]pyridine-3-carbaldehyde;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;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
• SMILES: CN1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.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.O=Cc1cn(-c2ccc(Cl)cc2)c2cnccc12.OCc1cn(-c2ccc(Cl)cc2)c2cnccc12
• InChI: InChI=1S/C23H24ClN5.C22H23ClN4.C21H21ClN4.C19H21ClN4.C14H11ClN2O.C14H9ClN2O/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;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;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;2*15-11-1-3-12(4-2-11)17-8-10(9-18)13-5-6-16-7-14(13)17/h2-6,9,12-14,16,18H,7-8,10-11,15H2,1H3;3-7,11,15-17H,1-2,8-9,12-14H2;2-6,10,14-16H,1,7-8,11-13H2;2-7,12,14H,8-11,13H2,1H3;1-8,18H,9H2;1-9H
• InChIKey: FPNFLIQESBICHA-UHFFFAOYSA-N
• XLogP: 24.81
• TPSA: 225.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2005.98
LogP ≤ 5	24.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)pyrrolo[2,3-c]pyridine-3-carbaldehyde;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;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?

The IUPAC name of 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)pyrrolo[2,3-c]pyridine-3-carbaldehyde;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;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 (CID 158103226) is 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)pyrrolo[2,3-c]pyridine-3-carbaldehyde;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;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.

What is the SMILES notation for 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)pyrrolo[2,3-c]pyridine-3-carbaldehyde;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;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?

The canonical SMILES for 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)pyrrolo[2,3-c]pyridine-3-carbaldehyde;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;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 is CN1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.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.O=Cc1cn(-c2ccc(Cl)cc2)c2cnccc12.OCc1cn(-c2ccc(Cl)cc2)c2cnccc12.

What is the InChIKey of 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)pyrrolo[2,3-c]pyridine-3-carbaldehyde;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;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?

The InChIKey is FPNFLIQESBICHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5.C22H23ClN4.C21H21ClN4.C19H21ClN4.C14H11ClN2O.C14H9ClN2O/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;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;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;2*15-11-1-3-12(4-2-11)17-8-10(9-18)13-5-6-16-7-14(13)17/h2-6,9,12-14,16,18H,7-8,10-11,15H2,1H3;3-7,11,15-17H,1-2,8-9,12-14H2;2-6,10,14-16H,1,7-8,11-13H2;2-7,12,14H,8-11,13H2,1H3;1-8,18H,9H2;1-9H.

What are the key properties of 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)pyrrolo[2,3-c]pyridine-3-carbaldehyde;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;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?

1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)pyrrolo[2,3-c]pyridine-3-carbaldehyde;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;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 has a molecular weight of 2005.98 g/mol, XLogP of 24.81, 20 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)pyrrolo[2,3-c]pyridine-3-carbaldehyde;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;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 is sourced from PubChem (CID 158103226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).