1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]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;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

C88H87Cl5N14O4 — CID 161130674

About 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]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;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

1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]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;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 161130674) has the molecular formula C88H87Cl5N14O4 and a molecular weight of 1582.02 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]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;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: 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]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;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: 161130674
• Molecular Formula: C88H87Cl5N14O4
• Molecular Weight: 1582.02 g/mol
• Exact Mass: 1578.55
• IUPAC Name: 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]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;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: CN1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=Cc1cn(-c2ccc(Cl)cc2)c2cnccc12.OCC1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.OCCC1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.OCc1cn(-c2ccc(Cl)cc2)c2cnccc12
• InChI: InChI=1S/C21H24ClN3O.C20H22ClN3O.C19H21ClN4.C14H11ClN2O.C14H9ClN2O/c22-18-1-3-19(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;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/h1-5,9,13,15-16,26H,6-8,10-12,14H2;1-5,8,11,13,15,25H,6-7,9-10,12,14H2;2-7,12,14H,8-11,13H2,1H3;1-8,18H,9H2;1-9H
• InChIKey: UMDGGMDHSJPVTR-UHFFFAOYSA-N
• XLogP: 18.25
• TPSA: 179.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1582.02
LogP ≤ 5	18.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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)pyrrolo[2,3-c]pyridine-3-carbaldehyde;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;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 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]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;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 161130674) is 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]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;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 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]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;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 1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]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;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 CN1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=Cc1cn(-c2ccc(Cl)cc2)c2cnccc12.OCC1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.OCCC1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.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)pyrrolo[2,3-c]pyridine-3-carbaldehyde;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;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 UMDGGMDHSJPVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O.C20H22ClN3O.C19H21ClN4.C14H11ClN2O.C14H9ClN2O/c22-18-1-3-19(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;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/h1-5,9,13,15-16,26H,6-8,10-12,14H2;1-5,8,11,13,15,25H,6-7,9-10,12,14H2;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)pyrrolo[2,3-c]pyridine-3-carbaldehyde;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;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?

1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]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;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 1582.02 g/mol, XLogP of 18.25, 16 rotatable bonds, 3 hydrogen bond donors, and 18 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)pyrrolo[2,3-c]pyridine-3-carbaldehyde;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;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 161130674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).