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

C19H12F2N6OS — CID 25204666

IUPAC5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
SMILESCc1csc(-c2cc(Cn3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)n1
InChIInChI=1S/C19H12F2N6OS/c1-10-9-29-19(23-10)14-5-11(28-26-14)7-27-8-16-15(6-22-27)24-18(25-16)12-3-2-4-13(20)17(12)21/h2-6,8-9H,7H2,1H3
InChIKeyWFGPGSVAYNBTCW-UHFFFAOYSA-N
MW410.41 g/mol
LogP4.19
Rot. Bonds4

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

5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole (PubChem CID 25204666) has the molecular formula C19H12F2N6OS and a molecular weight of 410.41 g/mol. Its IUPAC name is 5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
PubChem CID25204666
Molecular FormulaC19H12F2N6OS
Molecular Weight410.41 g/mol
Exact Mass410.08
IUPAC Name5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
SMILESCc1csc(-c2cc(Cn3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)n1
InChIInChI=1S/C19H12F2N6OS/c1-10-9-29-19(23-10)14-5-11(28-26-14)7-27-8-16-15(6-22-27)24-18(25-16)12-3-2-4-13(20)17(12)21/h2-6,8-9H,7H2,1H3
InChIKeyWFGPGSVAYNBTCW-UHFFFAOYSA-N
XLogP4.19
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole?
The IUPAC name of 5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole (CID 25204666) is 5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methyl-1,3-thiazol-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-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole?
The canonical SMILES for 5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole is Cc1csc(-c2cc(Cn3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)n1.
What is the InChIKey of 5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole?
The InChIKey is WFGPGSVAYNBTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N6OS/c1-10-9-29-19(23-10)14-5-11(28-26-14)7-27-8-16-15(6-22-27)24-18(25-16)12-3-2-4-13(20)17(12)21/h2-6,8-9H,7H2,1H3.
What are the key properties of 5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole?
5-[[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole has a molecular weight of 410.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 8 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-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole is sourced from PubChem (CID 25204666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).