4-chloro-2-[5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine

C24H28ClN5O2 — CID 11705143

IUPAC4-chloro-2-[5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc2c(-c3cc4c(Cl)ccnc4[nH]3)cn(CCN3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C24H28ClN5O2/c1-28-6-8-29(9-7-28)10-11-30-15-18(16-13-22(31-2)23(32-3)14-21(16)30)20-12-17-19(25)4-5-26-24(17)27-20/h4-5,12-15H,6-11H2,1-3H3,(H,26,27)
InChIKeyXVPNLCRXVSZQCC-UHFFFAOYSA-N
MW453.97 g/mol
LogP4.10
Rot. Bonds6

About 4-chloro-2-[5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine

4-chloro-2-[5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 11705143) has the molecular formula C24H28ClN5O2 and a molecular weight of 453.97 g/mol. Its IUPAC name is 4-chloro-2-[5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-2-[5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID11705143
Molecular FormulaC24H28ClN5O2
Molecular Weight453.97 g/mol
Exact Mass453.19
IUPAC Name4-chloro-2-[5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc2c(-c3cc4c(Cl)ccnc4[nH]3)cn(CCN3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C24H28ClN5O2/c1-28-6-8-29(9-7-28)10-11-30-15-18(16-13-22(31-2)23(32-3)14-21(16)30)20-12-17-19(25)4-5-26-24(17)27-20/h4-5,12-15H,6-11H2,1-3H3,(H,26,27)
InChIKeyXVPNLCRXVSZQCC-UHFFFAOYSA-N
XLogP4.10
TPSA58.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-2-[5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-2-[5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine (CID 11705143) is 4-chloro-2-[5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-2-[5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-2-[5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine is COc1cc2c(-c3cc4c(Cl)ccnc4[nH]3)cn(CCN3CCN(C)CC3)c2cc1OC.
What is the InChIKey of 4-chloro-2-[5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is XVPNLCRXVSZQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O2/c1-28-6-8-29(9-7-28)10-11-30-15-18(16-13-22(31-2)23(32-3)14-21(16)30)20-12-17-19(25)4-5-26-24(17)27-20/h4-5,12-15H,6-11H2,1-3H3,(H,26,27).
What are the key properties of 4-chloro-2-[5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
4-chloro-2-[5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 453.97 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 11705143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).