6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile

C20H17FN6O — CID 122510433

IUPAC6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCC(C)(O)Cn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C#N)n2n1
InChIInChI=1S/C20H17FN6O/c1-20(2,28)11-26-12-24-18(13-3-5-14(21)6-4-13)19(26)16-7-8-17-23-10-15(9-22)27(17)25-16/h3-8,10,12,28H,11H2,1-2H3
InChIKeyIYLJVEMAFXLMSQ-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.04
Rot. Bonds4

About 6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile

6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 122510433) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID122510433
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC Name6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCC(C)(O)Cn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C#N)n2n1
InChIInChI=1S/C20H17FN6O/c1-20(2,28)11-26-12-24-18(13-3-5-14(21)6-4-13)19(26)16-7-8-17-23-10-15(9-22)27(17)25-16/h3-8,10,12,28H,11H2,1-2H3
InChIKeyIYLJVEMAFXLMSQ-UHFFFAOYSA-N
XLogP3.04
TPSA92.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-(2,2-difluoroethyl)-5-[3-(2-hydroxypropan-2-yl)phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 122510505
6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 145149133
6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 122510553
N-tert-butyl-3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-4-(4-fluorophenyl)imidazol-1-yl]azetidine-1-carboxamide
CID 122510879
6-[5-(4-fluorophenyl)-3-[1-(methoxymethyl)azetidin-3-yl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 134492260
6-[5-(3-cyanophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 122510729
1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol
CID 140737298
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-b]pyridazine
CID 122510468
2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol
CID 145149136
1-tert-butyl-3-[[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]urea
CID 122510845
2-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]ethanol
CID 140737385
3-cyano-6-[3-(2,2-difluoroethyl)-5-[2-[(sulfinoamino)methyl]phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine
CID 146401617

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile (CID 122510433) is 6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile is CC(C)(O)Cn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C#N)n2n1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is IYLJVEMAFXLMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-20(2,28)11-26-12-24-18(13-3-5-14(21)6-4-13)19(26)16-7-8-17-23-10-15(9-22)27(17)25-16/h3-8,10,12,28H,11H2,1-2H3.
What are the key properties of 6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 376.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 122510433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).