6-bromo-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one

C12H10BrN5O — CID 134489893

IUPAC6-bromo-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cc2cccnn2)c2cc(Br)cnc21
InChIInChI=1S/C12H10BrN5O/c1-17-11-10(5-8(13)6-14-11)18(12(17)19)7-9-3-2-4-15-16-9/h2-6H,7H2,1H3
InChIKeyRWLFXIVGXLLPCQ-UHFFFAOYSA-N
MW320.15 g/mol
LogP1.34
Rot. Bonds2

About 6-bromo-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one

6-bromo-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 134489893) has the molecular formula C12H10BrN5O and a molecular weight of 320.15 g/mol. Its IUPAC name is 6-bromo-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one
PubChem CID134489893
Molecular FormulaC12H10BrN5O
Molecular Weight320.15 g/mol
Exact Mass319.01
IUPAC Name6-bromo-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cc2cccnn2)c2cc(Br)cnc21
InChIInChI=1S/C12H10BrN5O/c1-17-11-10(5-8(13)6-14-11)18(12(17)19)7-9-3-2-4-15-16-9/h2-6H,7H2,1H3
InChIKeyRWLFXIVGXLLPCQ-UHFFFAOYSA-N
XLogP1.34
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-bromo-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one (CID 134489893) is 6-bromo-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-bromo-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(Cc2cccnn2)c2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is RWLFXIVGXLLPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5O/c1-17-11-10(5-8(13)6-14-11)18(12(17)19)7-9-3-2-4-15-16-9/h2-6H,7H2,1H3.
What are the key properties of 6-bromo-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one?
6-bromo-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 320.15 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134489893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).