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

C17H12F3N5OS — CID 134493721

IUPAC3-methyl-1-(pyridazin-3-ylmethyl)-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cc2cccnn2)c2cc(-c3csc(C(F)(F)F)c3)cnc21
InChIInChI=1S/C17H12F3N5OS/c1-24-15-13(25(16(24)26)8-12-3-2-4-22-23-12)5-10(7-21-15)11-6-14(27-9-11)17(18,19)20/h2-7,9H,8H2,1H3
InChIKeyODOAOMNGELYMAZ-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.32
Rot. Bonds3

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

3-methyl-1-(pyridazin-3-ylmethyl)-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one (PubChem CID 134493721) has the molecular formula C17H12F3N5OS and a molecular weight of 391.38 g/mol. Its IUPAC name is 3-methyl-1-(pyridazin-3-ylmethyl)-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(pyridazin-3-ylmethyl)-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one
PubChem CID134493721
Molecular FormulaC17H12F3N5OS
Molecular Weight391.38 g/mol
Exact Mass391.07
IUPAC Name3-methyl-1-(pyridazin-3-ylmethyl)-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cc2cccnn2)c2cc(-c3csc(C(F)(F)F)c3)cnc21
InChIInChI=1S/C17H12F3N5OS/c1-24-15-13(25(16(24)26)8-12-3-2-4-22-23-12)5-10(7-21-15)11-6-14(27-9-11)17(18,19)20/h2-7,9H,8H2,1H3
InChIKeyODOAOMNGELYMAZ-UHFFFAOYSA-N
XLogP3.32
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyridazin-3-ylmethyl)-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-methyl-1-(pyridazin-3-ylmethyl)-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one (CID 134493721) is 3-methyl-1-(pyridazin-3-ylmethyl)-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-(pyridazin-3-ylmethyl)-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-methyl-1-(pyridazin-3-ylmethyl)-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(Cc2cccnn2)c2cc(-c3csc(C(F)(F)F)c3)cnc21.
What is the InChIKey of 3-methyl-1-(pyridazin-3-ylmethyl)-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is ODOAOMNGELYMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5OS/c1-24-15-13(25(16(24)26)8-12-3-2-4-22-23-12)5-10(7-21-15)11-6-14(27-9-11)17(18,19)20/h2-7,9H,8H2,1H3.
What are the key properties of 3-methyl-1-(pyridazin-3-ylmethyl)-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one?
3-methyl-1-(pyridazin-3-ylmethyl)-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 391.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyridazin-3-ylmethyl)-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).