2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine

C13H19N3O2 — CID 141006902

IUPAC2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
SMILESCCC(CCOC)n1c(OC)nc2cnccc21
InChIInChI=1S/C13H19N3O2/c1-4-10(6-8-17-2)16-12-5-7-14-9-11(12)15-13(16)18-3/h5,7,9-10H,4,6,8H2,1-3H3
InChIKeyVAXCLRMDYKFMTM-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.43
Rot. Bonds6

About 2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine

2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine (PubChem CID 141006902) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
PubChem CID141006902
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
SMILESCCC(CCOC)n1c(OC)nc2cnccc21
InChIInChI=1S/C13H19N3O2/c1-4-10(6-8-17-2)16-12-5-7-14-9-11(12)15-13(16)18-3/h5,7,9-10H,4,6,8H2,1-3H3
InChIKeyVAXCLRMDYKFMTM-UHFFFAOYSA-N
XLogP2.43
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine (CID 141006902) is 2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine is CCC(CCOC)n1c(OC)nc2cnccc21.
What is the InChIKey of 2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine?
The InChIKey is VAXCLRMDYKFMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-10(6-8-17-2)16-12-5-7-14-9-11(12)15-13(16)18-3/h5,7,9-10H,4,6,8H2,1-3H3.
What are the key properties of 2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine?
2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine has a molecular weight of 249.31 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 141006902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).