6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C19H16F3N7O4 — CID 156518417

IUPAC6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCOc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ccc(C(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C19H16F3N7O4/c1-10-5-13(28-33-10)16-26-25-15-6-14(31-2)18(27-29(15)16)32-8-12-4-3-11(7-23-12)17(30)24-9-19(20,21)22/h3-7H,8-9H2,1-2H3,(H,24,30)
InChIKeyVDWAYNWZVGEFRS-UHFFFAOYSA-N
MW463.38 g/mol
LogP2.36
Rot. Bonds7

About 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 156518417) has the molecular formula C19H16F3N7O4 and a molecular weight of 463.38 g/mol. Its IUPAC name is 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID156518417
Molecular FormulaC19H16F3N7O4
Molecular Weight463.38 g/mol
Exact Mass463.12
IUPAC Name6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCOc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ccc(C(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C19H16F3N7O4/c1-10-5-13(28-33-10)16-26-25-15-6-14(31-2)18(27-29(15)16)32-8-12-4-3-11(7-23-12)17(30)24-9-19(20,21)22/h3-7H,8-9H2,1-2H3,(H,24,30)
InChIKeyVDWAYNWZVGEFRS-UHFFFAOYSA-N
XLogP2.36
TPSA129.56 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

3-[7-methoxy-6-[(5-methylsulfonyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
CID 156518595
3-[7-methoxy-6-[[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-6-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
CID 156518794
4-methoxy-1-[2-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]butan-1-one
CID 156518601
3-[7-methoxy-6-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
CID 156518788
6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 156518847
6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxylic acid
CID 139493946
3-[7-methoxy-6-[[6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
CID 156518488
N-cyclopropyl-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide
CID 139493855
N-[(2S)-2-bicyclo[2.1.1]hexanyl]-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide
CID 170113599
3-[7-methoxy-6-[[6-[1-(oxetan-3-yl)piperidin-3-yl]-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
CID 156518802
3-[7-methoxy-6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
CID 166057938
2-[[2-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]bicyclo[1.1.1]pentane-1-carbonitrile
CID 166171794

Frequently Asked Questions

What is the IUPAC name of 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 156518417) is 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is COc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ccc(C(=O)NCC(F)(F)F)cn1.
What is the InChIKey of 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is VDWAYNWZVGEFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7O4/c1-10-5-13(28-33-10)16-26-25-15-6-14(31-2)18(27-29(15)16)32-8-12-4-3-11(7-23-12)17(30)24-9-19(20,21)22/h3-7H,8-9H2,1-2H3,(H,24,30).
What are the key properties of 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 463.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 156518417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).