2-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine

C17H16N4 — CID 589415

IUPAC2-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1[nH]c2ncccc2c1Cc1c(C)[nH]c2ncccc12
InChIInChI=1S/C17H16N4/c1-10-14(12-5-3-7-18-16(12)20-10)9-15-11(2)21-17-13(15)6-4-8-19-17/h3-8H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAJDYVLAMSHTHJY-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.65
Rot. Bonds2

About 2-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine

2-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 589415) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID589415
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name2-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1[nH]c2ncccc2c1Cc1c(C)[nH]c2ncccc12
InChIInChI=1S/C17H16N4/c1-10-14(12-5-3-7-18-16(12)20-10)9-15-11(2)21-17-13(15)6-4-8-19-17/h3-8H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAJDYVLAMSHTHJY-UHFFFAOYSA-N
XLogP3.65
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine (CID 589415) is 2-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine is Cc1[nH]c2ncccc2c1Cc1c(C)[nH]c2ncccc12.
What is the InChIKey of 2-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AJDYVLAMSHTHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-10-14(12-5-3-7-18-16(12)20-10)9-15-11(2)21-17-13(15)6-4-8-19-17/h3-8H,9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
2-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 276.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 589415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).