3,5-dimethyl-4-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]-1,2-oxazole

C24H18F3N5O — CID 67982599

IUPAC3,5-dimethyl-4-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]-1,2-oxazole
SMILESCc1ccc(-c2cn3nc(-c4cccnc4C(F)(F)F)ccc3n2)cc1-c1c(C)noc1C
InChIInChI=1S/C24H18F3N5O/c1-13-6-7-16(11-18(13)22-14(2)31-33-15(22)3)20-12-32-21(29-20)9-8-19(30-32)17-5-4-10-28-23(17)24(25,26)27/h4-12H,1-3H3
InChIKeyXSOSBVGQHHBFNR-UHFFFAOYSA-N
MW449.44 g/mol
LogP6.06
Rot. Bonds3

About 3,5-dimethyl-4-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]-1,2-oxazole

3,5-dimethyl-4-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]-1,2-oxazole (PubChem CID 67982599) has the molecular formula C24H18F3N5O and a molecular weight of 449.44 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]-1,2-oxazole
PubChem CID67982599
Molecular FormulaC24H18F3N5O
Molecular Weight449.44 g/mol
Exact Mass449.15
IUPAC Name3,5-dimethyl-4-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]-1,2-oxazole
SMILESCc1ccc(-c2cn3nc(-c4cccnc4C(F)(F)F)ccc3n2)cc1-c1c(C)noc1C
InChIInChI=1S/C24H18F3N5O/c1-13-6-7-16(11-18(13)22-14(2)31-33-15(22)3)20-12-32-21(29-20)9-8-19(30-32)17-5-4-10-28-23(17)24(25,26)27/h4-12H,1-3H3
InChIKeyXSOSBVGQHHBFNR-UHFFFAOYSA-N
XLogP6.06
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.44
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-4-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]-1,2-oxazole (CID 67982599) is 3,5-dimethyl-4-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]-1,2-oxazole is Cc1ccc(-c2cn3nc(-c4cccnc4C(F)(F)F)ccc3n2)cc1-c1c(C)noc1C.
What is the InChIKey of 3,5-dimethyl-4-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]-1,2-oxazole?
The InChIKey is XSOSBVGQHHBFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O/c1-13-6-7-16(11-18(13)22-14(2)31-33-15(22)3)20-12-32-21(29-20)9-8-19(30-32)17-5-4-10-28-23(17)24(25,26)27/h4-12H,1-3H3.
What are the key properties of 3,5-dimethyl-4-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]-1,2-oxazole?
3,5-dimethyl-4-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]-1,2-oxazole has a molecular weight of 449.44 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]-1,2-oxazole is sourced from PubChem (CID 67982599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).