2-(3,4-dimethoxyphenyl)-1-methyl-6-(4-piperazin-1-ylphenyl)pyrrolo[3,2-b]pyridine

C26H28N4O2 — CID 162736593

IUPAC2-(3,4-dimethoxyphenyl)-1-methyl-6-(4-piperazin-1-ylphenyl)pyrrolo[3,2-b]pyridine
SMILESCOc1ccc(-c2cc3ncc(-c4ccc(N5CCNCC5)cc4)cc3n2C)cc1OC
InChIInChI=1S/C26H28N4O2/c1-29-23(19-6-9-25(31-2)26(15-19)32-3)16-22-24(29)14-20(17-28-22)18-4-7-21(8-5-18)30-12-10-27-11-13-30/h4-9,14-17,27H,10-13H2,1-3H3
InChIKeyDQZXALXZWYRVCI-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.33
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-methyl-6-(4-piperazin-1-ylphenyl)pyrrolo[3,2-b]pyridine

2-(3,4-dimethoxyphenyl)-1-methyl-6-(4-piperazin-1-ylphenyl)pyrrolo[3,2-b]pyridine (PubChem CID 162736593) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-methyl-6-(4-piperazin-1-ylphenyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-methyl-6-(4-piperazin-1-ylphenyl)pyrrolo[3,2-b]pyridine
PubChem CID162736593
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-(3,4-dimethoxyphenyl)-1-methyl-6-(4-piperazin-1-ylphenyl)pyrrolo[3,2-b]pyridine
SMILESCOc1ccc(-c2cc3ncc(-c4ccc(N5CCNCC5)cc4)cc3n2C)cc1OC
InChIInChI=1S/C26H28N4O2/c1-29-23(19-6-9-25(31-2)26(15-19)32-3)16-22-24(29)14-20(17-28-22)18-4-7-21(8-5-18)30-12-10-27-11-13-30/h4-9,14-17,27H,10-13H2,1-3H3
InChIKeyDQZXALXZWYRVCI-UHFFFAOYSA-N
XLogP4.33
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-methyl-6-(4-piperazin-1-ylphenyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-methyl-6-(4-piperazin-1-ylphenyl)pyrrolo[3,2-b]pyridine (CID 162736593) is 2-(3,4-dimethoxyphenyl)-1-methyl-6-(4-piperazin-1-ylphenyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-methyl-6-(4-piperazin-1-ylphenyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-methyl-6-(4-piperazin-1-ylphenyl)pyrrolo[3,2-b]pyridine is COc1ccc(-c2cc3ncc(-c4ccc(N5CCNCC5)cc4)cc3n2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-methyl-6-(4-piperazin-1-ylphenyl)pyrrolo[3,2-b]pyridine?
The InChIKey is DQZXALXZWYRVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-29-23(19-6-9-25(31-2)26(15-19)32-3)16-22-24(29)14-20(17-28-22)18-4-7-21(8-5-18)30-12-10-27-11-13-30/h4-9,14-17,27H,10-13H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-methyl-6-(4-piperazin-1-ylphenyl)pyrrolo[3,2-b]pyridine?
2-(3,4-dimethoxyphenyl)-1-methyl-6-(4-piperazin-1-ylphenyl)pyrrolo[3,2-b]pyridine has a molecular weight of 428.54 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-methyl-6-(4-piperazin-1-ylphenyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 162736593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).