4-methoxy-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazine

C14H12N6O — CID 175748241

IUPAC4-methoxy-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1ncnn2ccc(-c3cnc4nc(C)[nH]c4c3)c12
InChIInChI=1S/C14H12N6O/c1-8-18-11-5-9(6-15-13(11)19-8)10-3-4-20-12(10)14(21-2)16-7-17-20/h3-7H,1-2H3,(H,15,18,19)
InChIKeyWJBIZFOYMZXJRL-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.98
Rot. Bonds2

About 4-methoxy-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazine

4-methoxy-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 175748241) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-methoxy-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-methoxy-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazine
PubChem CID175748241
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name4-methoxy-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1ncnn2ccc(-c3cnc4nc(C)[nH]c4c3)c12
InChIInChI=1S/C14H12N6O/c1-8-18-11-5-9(6-15-13(11)19-8)10-3-4-20-12(10)14(21-2)16-7-17-20/h3-7H,1-2H3,(H,15,18,19)
InChIKeyWJBIZFOYMZXJRL-UHFFFAOYSA-N
XLogP1.98
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-methoxy-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazine (CID 175748241) is 4-methoxy-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-methoxy-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-methoxy-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazine is COc1ncnn2ccc(-c3cnc4nc(C)[nH]c4c3)c12.
What is the InChIKey of 4-methoxy-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is WJBIZFOYMZXJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c1-8-18-11-5-9(6-15-13(11)19-8)10-3-4-20-12(10)14(21-2)16-7-17-20/h3-7H,1-2H3,(H,15,18,19).
What are the key properties of 4-methoxy-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazine?
4-methoxy-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 280.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 175748241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).