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

C19H14F3N5 — CID 122510466

IUPAC6-[3-[1-(difluoromethyl)cyclopropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine
SMILESFc1ccc(-c2ncn(C3(C(F)F)CC3)c2-c2ccc3nccn3n2)cc1
InChIInChI=1S/C19H14F3N5/c20-13-3-1-12(2-4-13)16-17(14-5-6-15-23-9-10-27(15)25-14)26(11-24-16)19(7-8-19)18(21)22/h1-6,9-11,18H,7-8H2
InChIKeyLTWJOYWIYVWIRU-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.15
Rot. Bonds4

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

6-[3-[1-(difluoromethyl)cyclopropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine (PubChem CID 122510466) has the molecular formula C19H14F3N5 and a molecular weight of 369.35 g/mol. Its IUPAC name is 6-[3-[1-(difluoromethyl)cyclopropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[3-[1-(difluoromethyl)cyclopropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine
PubChem CID122510466
Molecular FormulaC19H14F3N5
Molecular Weight369.35 g/mol
Exact Mass369.12
IUPAC Name6-[3-[1-(difluoromethyl)cyclopropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine
SMILESFc1ccc(-c2ncn(C3(C(F)F)CC3)c2-c2ccc3nccn3n2)cc1
InChIInChI=1S/C19H14F3N5/c20-13-3-1-12(2-4-13)16-17(14-5-6-15-23-9-10-27(15)25-14)26(11-24-16)19(7-8-19)18(21)22/h1-6,9-11,18H,7-8H2
InChIKeyLTWJOYWIYVWIRU-UHFFFAOYSA-N
XLogP4.15
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(1,1-difluoro-2-methylbutan-2-yl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine
CID 146410177
4-[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-yl-1-methylpyrazol-5-yl]morpholine
CID 154465164
6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazine
CID 116854254
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-b]pyridazine
CID 122510468
6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine
CID 90240365
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-[2-(2-fluorophenoxy)pyrimidin-5-yl]imidazo[1,2-b]pyridazine
CID 162507513
6-(4-ethoxy-3-fluorophenyl)imidazo[1,2-b]pyridazine
CID 116854261
6-pyridin-2-ylimidazo[1,2-b]pyridazine
CID 116854315
6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine
CID 116854245
[4-[3-(1-adamantyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamic acid
CID 135370825
6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122510893

Frequently Asked Questions

What is the IUPAC name of 6-[3-[1-(difluoromethyl)cyclopropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[3-[1-(difluoromethyl)cyclopropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine (CID 122510466) is 6-[3-[1-(difluoromethyl)cyclopropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[3-[1-(difluoromethyl)cyclopropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[3-[1-(difluoromethyl)cyclopropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine is Fc1ccc(-c2ncn(C3(C(F)F)CC3)c2-c2ccc3nccn3n2)cc1.
What is the InChIKey of 6-[3-[1-(difluoromethyl)cyclopropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine?
The InChIKey is LTWJOYWIYVWIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5/c20-13-3-1-12(2-4-13)16-17(14-5-6-15-23-9-10-27(15)25-14)26(11-24-16)19(7-8-19)18(21)22/h1-6,9-11,18H,7-8H2.
What are the key properties of 6-[3-[1-(difluoromethyl)cyclopropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine?
6-[3-[1-(difluoromethyl)cyclopropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine has a molecular weight of 369.35 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[1-(difluoromethyl)cyclopropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 122510466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).