2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol

C20H18F3N5O — CID 145149136

IUPAC2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol
SMILESCC(CO)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)nn12
InChIInChI=1S/C20H18F3N5O/c1-12(10-29)16-8-24-18-7-6-15(26-28(16)18)20-19(13-2-4-14(21)5-3-13)25-11-27(20)9-17(22)23/h2-8,11-12,17,29H,9-10H2,1H3
InChIKeyXUAOOZHGVHNQRV-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.76
Rot. Bonds6

About 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol

2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol (PubChem CID 145149136) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol
PubChem CID145149136
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC Name2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol
SMILESCC(CO)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)nn12
InChIInChI=1S/C20H18F3N5O/c1-12(10-29)16-8-24-18-7-6-15(26-28(16)18)20-19(13-2-4-14(21)5-3-13)25-11-27(20)9-17(22)23/h2-8,11-12,17,29H,9-10H2,1H3
InChIKeyXUAOOZHGVHNQRV-UHFFFAOYSA-N
XLogP3.76
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-b]pyridazine
CID 122510468
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
6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 122510433
2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol
CID 122523296
6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122510893
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 140737268
6-[3-(2,2-difluoroethyl)-5-[3-(2-hydroxypropan-2-yl)phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 122510505
1-[4-(3-chloro-4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]propan-2-ol
CID 147376187
6-[5-(3-cyanophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 122510729
6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122510483
1-ethyl-4,5-bis(4-fluorophenyl)imidazole
CID 56925474

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol?
The IUPAC name of 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol (CID 145149136) is 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol.
What is the SMILES notation for 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol?
The canonical SMILES for 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol is CC(CO)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)nn12.
What is the InChIKey of 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol?
The InChIKey is XUAOOZHGVHNQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c1-12(10-29)16-8-24-18-7-6-15(26-28(16)18)20-19(13-2-4-14(21)5-3-13)25-11-27(20)9-17(22)23/h2-8,11-12,17,29H,9-10H2,1H3.
What are the key properties of 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol?
2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol has a molecular weight of 401.39 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol is sourced from PubChem (CID 145149136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).