3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine-5-carbonitrile

C15H10F2N6 — CID 135186265

IUPAC3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cnnc(C(F)F)c3)n(C3CC3)c2n1
InChIInChI=1S/C15H10F2N6/c16-13(17)12-5-8(7-19-22-12)14-21-11-4-1-9(6-18)20-15(11)23(14)10-2-3-10/h1,4-5,7,10,13H,2-3H2
InChIKeyCSBQTXOGAACCIS-UHFFFAOYSA-N
MW312.28 g/mol
LogP3.03
Rot. Bonds3

About 3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine-5-carbonitrile

3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine-5-carbonitrile (PubChem CID 135186265) has the molecular formula C15H10F2N6 and a molecular weight of 312.28 g/mol. Its IUPAC name is 3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine-5-carbonitrile
PubChem CID135186265
Molecular FormulaC15H10F2N6
Molecular Weight312.28 g/mol
Exact Mass312.09
IUPAC Name3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cnnc(C(F)F)c3)n(C3CC3)c2n1
InChIInChI=1S/C15H10F2N6/c16-13(17)12-5-8(7-19-22-12)14-21-11-4-1-9(6-18)20-15(11)23(14)10-2-3-10/h1,4-5,7,10,13H,2-3H2
InChIKeyCSBQTXOGAACCIS-UHFFFAOYSA-N
XLogP3.03
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine-5-carbonitrile?
The IUPAC name of 3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine-5-carbonitrile (CID 135186265) is 3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine-5-carbonitrile is N#Cc1ccc2nc(-c3cnnc(C(F)F)c3)n(C3CC3)c2n1.
What is the InChIKey of 3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine-5-carbonitrile?
The InChIKey is CSBQTXOGAACCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N6/c16-13(17)12-5-8(7-19-22-12)14-21-11-4-1-9(6-18)20-15(11)23(14)10-2-3-10/h1,4-5,7,10,13H,2-3H2.
What are the key properties of 3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine-5-carbonitrile?
3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine-5-carbonitrile has a molecular weight of 312.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135186265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).