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

C24H29ClN6O2 — CID 59432600

IUPAC3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[3,2-b]pyridine
SMILESCOc1cc2c(nc1OC)c(-c1cc3c(Cl)ccnc3n1C)cn2CCN1CCN(C)CC1
InChIInChI=1S/C24H29ClN6O2/c1-28-7-9-30(10-8-28)11-12-31-15-17(22-20(31)14-21(32-3)24(27-22)33-4)19-13-16-18(25)5-6-26-23(16)29(19)2/h5-6,13-15H,7-12H2,1-4H3
InChIKeySLCCPMUUFSLGSY-UHFFFAOYSA-N
MW468.99 g/mol
LogP3.51
Rot. Bonds6

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

3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[3,2-b]pyridine (PubChem CID 59432600) has the molecular formula C24H29ClN6O2 and a molecular weight of 468.99 g/mol. Its IUPAC name is 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[3,2-b]pyridine
PubChem CID59432600
Molecular FormulaC24H29ClN6O2
Molecular Weight468.99 g/mol
Exact Mass468.20
IUPAC Name3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[3,2-b]pyridine
SMILESCOc1cc2c(nc1OC)c(-c1cc3c(Cl)ccnc3n1C)cn2CCN1CCN(C)CC1
InChIInChI=1S/C24H29ClN6O2/c1-28-7-9-30(10-8-28)11-12-31-15-17(22-20(31)14-21(32-3)24(27-22)33-4)19-13-16-18(25)5-6-26-23(16)29(19)2/h5-6,13-15H,7-12H2,1-4H3
InChIKeySLCCPMUUFSLGSY-UHFFFAOYSA-N
XLogP3.51
TPSA60.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[3,2-b]pyridine (CID 59432600) is 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[3,2-b]pyridine is COc1cc2c(nc1OC)c(-c1cc3c(Cl)ccnc3n1C)cn2CCN1CCN(C)CC1.
What is the InChIKey of 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[3,2-b]pyridine?
The InChIKey is SLCCPMUUFSLGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O2/c1-28-7-9-30(10-8-28)11-12-31-15-17(22-20(31)14-21(32-3)24(27-22)33-4)19-13-16-18(25)5-6-26-23(16)29(19)2/h5-6,13-15H,7-12H2,1-4H3.
What are the key properties of 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[3,2-b]pyridine?
3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[3,2-b]pyridine has a molecular weight of 468.99 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 59432600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).