5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole

C22H16FN5O — CID 143746841

IUPAC5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole
SMILESCc1ccc(-c2cc(Cn3cc4nc(-c5ccccc5F)nc-4cn3)on2)cc1
InChIInChI=1S/C22H16FN5O/c1-14-6-8-15(9-7-14)19-10-16(29-27-19)12-28-13-21-20(11-24-28)25-22(26-21)17-4-2-3-5-18(17)23/h2-11,13H,12H2,1H3
InChIKeyODCVXBZOOWBMQQ-UHFFFAOYSA-N
MW385.40 g/mol
LogP4.60
Rot. Bonds4

About 5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole

5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole (PubChem CID 143746841) has the molecular formula C22H16FN5O and a molecular weight of 385.40 g/mol. Its IUPAC name is 5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole
PubChem CID143746841
Molecular FormulaC22H16FN5O
Molecular Weight385.40 g/mol
Exact Mass385.13
IUPAC Name5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole
SMILESCc1ccc(-c2cc(Cn3cc4nc(-c5ccccc5F)nc-4cn3)on2)cc1
InChIInChI=1S/C22H16FN5O/c1-14-6-8-15(9-7-14)19-10-16(29-27-19)12-28-13-21-20(11-24-28)25-22(26-21)17-4-2-3-5-18(17)23/h2-11,13H,12H2,1H3
InChIKeyODCVXBZOOWBMQQ-UHFFFAOYSA-N
XLogP4.60
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole?
The IUPAC name of 5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole (CID 143746841) is 5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole.
What is the SMILES notation for 5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole?
The canonical SMILES for 5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole is Cc1ccc(-c2cc(Cn3cc4nc(-c5ccccc5F)nc-4cn3)on2)cc1.
What is the InChIKey of 5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole?
The InChIKey is ODCVXBZOOWBMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O/c1-14-6-8-15(9-7-14)19-10-16(29-27-19)12-28-13-21-20(11-24-28)25-22(26-21)17-4-2-3-5-18(17)23/h2-11,13H,12H2,1H3.
What are the key properties of 5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole?
5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole has a molecular weight of 385.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole is sourced from PubChem (CID 143746841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).