6-[3-(1,1-difluoro-2-methylbutan-2-yl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine

C20H18F3N5 — CID 146410177

IUPAC6-[3-(1,1-difluoro-2-methylbutan-2-yl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine
SMILESCCC(C)(C(F)F)n1cnc(-c2ccc(F)cc2)c1-c1ccc2nccn2n1
InChIInChI=1S/C20H18F3N5/c1-3-20(2,19(22)23)27-12-25-17(13-4-6-14(21)7-5-13)18(27)15-8-9-16-24-10-11-28(16)26-15/h4-12,19H,3H2,1-2H3
InChIKeyQMRJPDWQIKXHGY-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.79
Rot. Bonds5

About 6-[3-(1,1-difluoro-2-methylbutan-2-yl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine

6-[3-(1,1-difluoro-2-methylbutan-2-yl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine (PubChem CID 146410177) has the molecular formula C20H18F3N5 and a molecular weight of 385.39 g/mol. Its IUPAC name is 6-[3-(1,1-difluoro-2-methylbutan-2-yl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[3-(1,1-difluoro-2-methylbutan-2-yl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine
PubChem CID146410177
Molecular FormulaC20H18F3N5
Molecular Weight385.39 g/mol
Exact Mass385.15
IUPAC Name6-[3-(1,1-difluoro-2-methylbutan-2-yl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine
SMILESCCC(C)(C(F)F)n1cnc(-c2ccc(F)cc2)c1-c1ccc2nccn2n1
InChIInChI=1S/C20H18F3N5/c1-3-20(2,19(22)23)27-12-25-17(13-4-6-14(21)7-5-13)18(27)15-8-9-16-24-10-11-28(16)26-15/h4-12,19H,3H2,1-2H3
InChIKeyQMRJPDWQIKXHGY-UHFFFAOYSA-N
XLogP4.79
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-[1-(difluoromethyl)cyclopropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine
CID 122510466
4-[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-yl-1-methylpyrazol-5-yl]morpholine
CID 154465164
6-(4-ethoxy-3-fluorophenyl)imidazo[1,2-b]pyridazine
CID 116854261
6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazine
CID 116854254
4-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methylsulfinylpyrimidine
CID 69243247
1-ethyl-4,5-bis(4-fluorophenyl)imidazole
CID 56925474
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-b]pyridazine
CID 122510468
4-[5-(4-fluorophenyl)-3-(2-fluoropropan-2-yl)imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 162424582
2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol
CID 122523296
8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine
CID 151652380
2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol
CID 145149136
6-(3-ethyl-4-methoxyphenyl)imidazo[1,2-b]pyridazine
CID 116854258

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1,1-difluoro-2-methylbutan-2-yl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[3-(1,1-difluoro-2-methylbutan-2-yl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine (CID 146410177) is 6-[3-(1,1-difluoro-2-methylbutan-2-yl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[3-(1,1-difluoro-2-methylbutan-2-yl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[3-(1,1-difluoro-2-methylbutan-2-yl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine is CCC(C)(C(F)F)n1cnc(-c2ccc(F)cc2)c1-c1ccc2nccn2n1.
What is the InChIKey of 6-[3-(1,1-difluoro-2-methylbutan-2-yl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine?
The InChIKey is QMRJPDWQIKXHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5/c1-3-20(2,19(22)23)27-12-25-17(13-4-6-14(21)7-5-13)18(27)15-8-9-16-24-10-11-28(16)26-15/h4-12,19H,3H2,1-2H3.
What are the key properties of 6-[3-(1,1-difluoro-2-methylbutan-2-yl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine?
6-[3-(1,1-difluoro-2-methylbutan-2-yl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine has a molecular weight of 385.39 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1,1-difluoro-2-methylbutan-2-yl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 146410177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).