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

C24H20FN5O2 — CID 25204192

IUPAC5-[[2-(4-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-propoxyphenyl)-1,2-oxazole
SMILESCCCOc1ccc(-c2cc(Cn3cc4nc(-c5ccc(F)cc5)nc-4cn3)on2)cc1
InChIInChI=1S/C24H20FN5O2/c1-2-11-31-19-9-5-16(6-10-19)21-12-20(32-29-21)14-30-15-23-22(13-26-30)27-24(28-23)17-3-7-18(25)8-4-17/h3-10,12-13,15H,2,11,14H2,1H3
InChIKeyFBFIYISAUUZRPQ-UHFFFAOYSA-N
MW429.46 g/mol
LogP5.08
Rot. Bonds7

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

5-[[2-(4-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-propoxyphenyl)-1,2-oxazole (PubChem CID 25204192) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 5-[[2-(4-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-propoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[[2-(4-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-propoxyphenyl)-1,2-oxazole
PubChem CID25204192
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name5-[[2-(4-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-propoxyphenyl)-1,2-oxazole
SMILESCCCOc1ccc(-c2cc(Cn3cc4nc(-c5ccc(F)cc5)nc-4cn3)on2)cc1
InChIInChI=1S/C24H20FN5O2/c1-2-11-31-19-9-5-16(6-10-19)21-12-20(32-29-21)14-30-15-23-22(13-26-30)27-24(28-23)17-3-7-18(25)8-4-17/h3-10,12-13,15H,2,11,14H2,1H3
InChIKeyFBFIYISAUUZRPQ-UHFFFAOYSA-N
XLogP5.08
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.46
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-propoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-[[2-(4-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-propoxyphenyl)-1,2-oxazole (CID 25204192) is 5-[[2-(4-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-propoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-[[2-(4-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-propoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-[[2-(4-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-propoxyphenyl)-1,2-oxazole is CCCOc1ccc(-c2cc(Cn3cc4nc(-c5ccc(F)cc5)nc-4cn3)on2)cc1.
What is the InChIKey of 5-[[2-(4-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-propoxyphenyl)-1,2-oxazole?
The InChIKey is FBFIYISAUUZRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c1-2-11-31-19-9-5-16(6-10-19)21-12-20(32-29-21)14-30-15-23-22(13-26-30)27-24(28-23)17-3-7-18(25)8-4-17/h3-10,12-13,15H,2,11,14H2,1H3.
What are the key properties of 5-[[2-(4-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-propoxyphenyl)-1,2-oxazole?
5-[[2-(4-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-propoxyphenyl)-1,2-oxazole has a molecular weight of 429.46 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-propoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 25204192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).