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

C22H17F2N7O2 — CID 46850224

IUPAC5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(5-propoxypyrazin-2-yl)-1,2-oxazole
SMILESCCCOc1cnc(-c2cc(Cn3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)cn1
InChIInChI=1S/C22H17F2N7O2/c1-2-6-32-20-10-25-17(8-26-20)16-7-13(33-30-16)11-31-12-19-18(9-27-31)28-22(29-19)14-4-3-5-15(23)21(14)24/h3-5,7-10,12H,2,6,11H2,1H3
InChIKeyJOSUIISHLLHIFE-UHFFFAOYSA-N
MW449.42 g/mol
LogP4.01
Rot. Bonds7

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

5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(5-propoxypyrazin-2-yl)-1,2-oxazole (PubChem CID 46850224) has the molecular formula C22H17F2N7O2 and a molecular weight of 449.42 g/mol. Its IUPAC name is 5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(5-propoxypyrazin-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(5-propoxypyrazin-2-yl)-1,2-oxazole
PubChem CID46850224
Molecular FormulaC22H17F2N7O2
Molecular Weight449.42 g/mol
Exact Mass449.14
IUPAC Name5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(5-propoxypyrazin-2-yl)-1,2-oxazole
SMILESCCCOc1cnc(-c2cc(Cn3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)cn1
InChIInChI=1S/C22H17F2N7O2/c1-2-6-32-20-10-25-17(8-26-20)16-7-13(33-30-16)11-31-12-19-18(9-27-31)28-22(29-19)14-4-3-5-15(23)21(14)24/h3-5,7-10,12H,2,6,11H2,1H3
InChIKeyJOSUIISHLLHIFE-UHFFFAOYSA-N
XLogP4.01
TPSA104.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(5-propoxypyrazin-2-yl)-1,2-oxazole?
The IUPAC name of 5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(5-propoxypyrazin-2-yl)-1,2-oxazole (CID 46850224) is 5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(5-propoxypyrazin-2-yl)-1,2-oxazole.
What is the SMILES notation for 5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(5-propoxypyrazin-2-yl)-1,2-oxazole?
The canonical SMILES for 5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(5-propoxypyrazin-2-yl)-1,2-oxazole is CCCOc1cnc(-c2cc(Cn3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)cn1.
What is the InChIKey of 5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(5-propoxypyrazin-2-yl)-1,2-oxazole?
The InChIKey is JOSUIISHLLHIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N7O2/c1-2-6-32-20-10-25-17(8-26-20)16-7-13(33-30-16)11-31-12-19-18(9-27-31)28-22(29-19)14-4-3-5-15(23)21(14)24/h3-5,7-10,12H,2,6,11H2,1H3.
What are the key properties of 5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(5-propoxypyrazin-2-yl)-1,2-oxazole?
5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(5-propoxypyrazin-2-yl)-1,2-oxazole has a molecular weight of 449.42 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(5-propoxypyrazin-2-yl)-1,2-oxazole is sourced from PubChem (CID 46850224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).