4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine;4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine

C53H64Cl2N10O4 — CID 87892706

About 4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine;4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine

4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine;4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 87892706) has the molecular formula C53H64Cl2N10O4 and a molecular weight of 976.07 g/mol. Its IUPAC name is 4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine;4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine;4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 87892706
• Molecular Formula: C53H64Cl2N10O4
• Molecular Weight: 976.07 g/mol
• Exact Mass: 974.45
• IUPAC Name: 4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine;4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine
• SMILES: COc1cc2c(-c3cc4c(Cl)ccnc4[nH]3)cn(C)c2cc1OCCN1CCC(N2CCCCC2)CC1.COc1cc2c(-c3cc4c(Cl)ccnc4[nH]3)cn(C)c2cc1OCCN1CCN(C)CC1
• InChI: InChI=1S/C29H36ClN5O2.C24H28ClN5O2/c1-33-19-23(25-16-22-24(30)6-9-31-29(22)32-25)21-17-27(36-2)28(18-26(21)33)37-15-14-34-12-7-20(8-13-34)35-10-4-3-5-11-35;1-28-6-8-30(9-7-28)10-11-32-23-14-21-16(13-22(23)31-3)18(15-29(21)2)20-12-17-19(25)4-5-26-24(17)27-20/h6,9,16-20H,3-5,7-8,10-15H2,1-2H3,(H,31,32);4-5,12-15H,6-11H2,1-3H3,(H,26,27)
• InChIKey: VHJQIRKZGJMKNF-UHFFFAOYSA-N
• XLogP: 9.72
• TPSA: 117.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	976.07
LogP ≤ 5	9.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine;4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine;4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine (CID 87892706) is 4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine;4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine;4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine;4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine is COc1cc2c(-c3cc4c(Cl)ccnc4[nH]3)cn(C)c2cc1OCCN1CCC(N2CCCCC2)CC1.COc1cc2c(-c3cc4c(Cl)ccnc4[nH]3)cn(C)c2cc1OCCN1CCN(C)CC1.

What is the InChIKey of 4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine;4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is VHJQIRKZGJMKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36ClN5O2.C24H28ClN5O2/c1-33-19-23(25-16-22-24(30)6-9-31-29(22)32-25)21-17-27(36-2)28(18-26(21)33)37-15-14-34-12-7-20(8-13-34)35-10-4-3-5-11-35;1-28-6-8-30(9-7-28)10-11-32-23-14-21-16(13-22(23)31-3)18(15-29(21)2)20-12-17-19(25)4-5-26-24(17)27-20/h6,9,16-20H,3-5,7-8,10-15H2,1-2H3,(H,31,32);4-5,12-15H,6-11H2,1-3H3,(H,26,27).

What are the key properties of 4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine;4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine?

4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine;4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 976.07 g/mol, XLogP of 9.72, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine;4-chloro-2-[5-methoxy-1-methyl-6-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 87892706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).