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

C19H14F2N6O — CID 122510918

IUPAC6-[3-(2,2-difluoroethyl)-5-[3-(hydroxymethyl)phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3c(-c4cccc(CO)c4)ncn3CC(F)F)nn12
InChIInChI=1S/C19H14F2N6O/c20-16(21)9-26-11-24-18(13-3-1-2-12(6-13)10-28)19(26)15-4-5-17-23-8-14(7-22)27(17)25-15/h1-6,8,11,16,28H,9-10H2
InChIKeyHIZKQJCHZWYQGG-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.89
Rot. Bonds5

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

6-[3-(2,2-difluoroethyl)-5-[3-(hydroxymethyl)phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 122510918) has the molecular formula C19H14F2N6O and a molecular weight of 380.36 g/mol. Its IUPAC name is 6-[3-(2,2-difluoroethyl)-5-[3-(hydroxymethyl)phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(2,2-difluoroethyl)-5-[3-(hydroxymethyl)phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID122510918
Molecular FormulaC19H14F2N6O
Molecular Weight380.36 g/mol
Exact Mass380.12
IUPAC Name6-[3-(2,2-difluoroethyl)-5-[3-(hydroxymethyl)phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3c(-c4cccc(CO)c4)ncn3CC(F)F)nn12
InChIInChI=1S/C19H14F2N6O/c20-16(21)9-26-11-24-18(13-3-1-2-12(6-13)10-28)19(26)15-4-5-17-23-8-14(7-22)27(17)25-15/h1-6,8,11,16,28H,9-10H2
InChIKeyHIZKQJCHZWYQGG-UHFFFAOYSA-N
XLogP2.89
TPSA92.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[3-(2,2-difluoroethyl)-5-[3-(hydroxymethyl)phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile with MolForge

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Related Compounds

US10399985, Example 3
CID 91826747
7-[2-(1-Imidazolyl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455594
US10399985, Example 18
CID 118278162
US10399985, Example 15
CID 118278198
(3-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)phenyl)methanol
CID 71451823
6-Fluoro-2-(5-(2-hydroxypropan-2-yl)pyridin-3-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 86730382
US9884868, Example 14''
CID 122510417
US9884868, Example 1''
CID 122510498
[4-(6-Phenylimidazo [1,2-b]pyridazin-3-yl)phenyl] methanol
CID 126672911
[4-[6-(4-Fluorophenyl) imidazo[1,2-3]pyridazin-3-yl]phenyl] methanol
CID 135316116
[3-[3-(3-Chlorophenyl) imidazo[1,2-b]pyridazin-6-yl]phenyl] methanol
CID 135316154
US9884868, Example 28''
CID 122510464

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,2-difluoroethyl)-5-[3-(hydroxymethyl)phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 6-[3-(2,2-difluoroethyl)-5-[3-(hydroxymethyl)phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile (CID 122510918) is 6-[3-(2,2-difluoroethyl)-5-[3-(hydroxymethyl)phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[3-(2,2-difluoroethyl)-5-[3-(hydroxymethyl)phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[3-(2,2-difluoroethyl)-5-[3-(hydroxymethyl)phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile is N#Cc1cnc2ccc(-c3c(-c4cccc(CO)c4)ncn3CC(F)F)nn12.
What is the InChIKey of 6-[3-(2,2-difluoroethyl)-5-[3-(hydroxymethyl)phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is HIZKQJCHZWYQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O/c20-16(21)9-26-11-24-18(13-3-1-2-12(6-13)10-28)19(26)15-4-5-17-23-8-14(7-22)27(17)25-15/h1-6,8,11,16,28H,9-10H2.
What are the key properties of 6-[3-(2,2-difluoroethyl)-5-[3-(hydroxymethyl)phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
6-[3-(2,2-difluoroethyl)-5-[3-(hydroxymethyl)phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 380.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,2-difluoroethyl)-5-[3-(hydroxymethyl)phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 122510918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).