5-methyl-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

C16H14N4 — CID 134417012

IUPAC5-methyl-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc2[nH]ccc2c1Cn1ccc2ccncc21
InChIInChI=1S/C16H14N4/c1-11-8-19-16-13(3-6-18-16)14(11)10-20-7-4-12-2-5-17-9-15(12)20/h2-9H,10H2,1H3,(H,18,19)
InChIKeyNFDOXSUCUZYOHT-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.27
Rot. Bonds2

About 5-methyl-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

5-methyl-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 134417012) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-methyl-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-methyl-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID134417012
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name5-methyl-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc2[nH]ccc2c1Cn1ccc2ccncc21
InChIInChI=1S/C16H14N4/c1-11-8-19-16-13(3-6-18-16)14(11)10-20-7-4-12-2-5-17-9-15(12)20/h2-9H,10H2,1H3,(H,18,19)
InChIKeyNFDOXSUCUZYOHT-UHFFFAOYSA-N
XLogP3.27
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-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 5-methyl-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-methyl-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (CID 134417012) is 5-methyl-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-methyl-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-methyl-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is Cc1cnc2[nH]ccc2c1Cn1ccc2ccncc21.
What is the InChIKey of 5-methyl-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NFDOXSUCUZYOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-11-8-19-16-13(3-6-18-16)14(11)10-20-7-4-12-2-5-17-9-15(12)20/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 5-methyl-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
5-methyl-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 262.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 134417012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).