6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile

C19H14F2N6O — CID 122510577

IUPAC6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCOc1ccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(C#N)n3n2)cc1
InChIInChI=1S/C19H14F2N6O/c1-28-14-4-2-12(3-5-14)18-19(26(11-24-18)10-16(20)21)15-6-7-17-23-9-13(8-22)27(17)25-15/h2-7,9,11,16H,10H2,1H3
InChIKeyNHLDFZIDIQCYDI-UHFFFAOYSA-N
MW380.36 g/mol
LogP3.41
Rot. Bonds5

About 6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile

6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 122510577) has the molecular formula C19H14F2N6O and a molecular weight of 380.36 g/mol. Its IUPAC name is 6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID122510577
Molecular FormulaC19H14F2N6O
Molecular Weight380.36 g/mol
Exact Mass380.12
IUPAC Name6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCOc1ccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(C#N)n3n2)cc1
InChIInChI=1S/C19H14F2N6O/c1-28-14-4-2-12(3-5-14)18-19(26(11-24-18)10-16(20)21)15-6-7-17-23-9-13(8-22)27(17)25-15/h2-7,9,11,16H,10H2,1H3
InChIKeyNHLDFZIDIQCYDI-UHFFFAOYSA-N
XLogP3.41
TPSA81.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile (CID 122510577) is 6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile is COc1ccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(C#N)n3n2)cc1.
What is the InChIKey of 6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is NHLDFZIDIQCYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O/c1-28-14-4-2-12(3-5-14)18-19(26(11-24-18)10-16(20)21)15-6-7-17-23-9-13(8-22)27(17)25-15/h2-7,9,11,16H,10H2,1H3.
What are the key properties of 6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 380.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,2-difluoroethyl)-5-(4-methoxyphenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 122510577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).