5-[1-(6-amino-3-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide

C38H23ClF10N12O6 — CID 158217747

About 5-[1-(6-amino-3-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide

5-[1-(6-amino-3-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide (PubChem CID 158217747) has the molecular formula C38H23ClF10N12O6 and a molecular weight of 969.11 g/mol. Its IUPAC name is 5-[1-(6-amino-3-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 5-[1-(6-amino-3-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide
• PubChem CID: 158217747
• Molecular Formula: C38H23ClF10N12O6
• Molecular Weight: 969.11 g/mol
• Exact Mass: 968.14
• IUPAC Name: 5-[1-(6-amino-3-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide
• SMILES: Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(N)nc3)n2)oc1=O.Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)n2)oc1=O.O=C(Cl)c1c(F)cccc1F
• InChI: InChI=1S/C19H11F5N6O3.C12H9F3N6O2.C7H3ClF2O/c1-29-18(32)33-17(28-29)12-7-13(19(22,23)24)30(27-12)9-5-6-14(25-8-9)26-16(31)15-10(20)3-2-4-11(15)21;1-20-11(22)23-10(19-20)7-4-8(12(13,14)15)21(18-7)6-2-3-9(16)17-5-6;8-7(11)6-4(9)2-1-3-5(6)10/h2-8H,1H3,(H,25,26,31);2-5H,1H3,(H2,16,17);1-3H
• InChIKey: GCWHJVILXCUAQT-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 229.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	969.11
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-amino-3-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide?

The IUPAC name of 5-[1-(6-amino-3-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide (CID 158217747) is 5-[1-(6-amino-3-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide.

What is the SMILES notation for 5-[1-(6-amino-3-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide?

The canonical SMILES for 5-[1-(6-amino-3-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide is Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(N)nc3)n2)oc1=O.Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)n2)oc1=O.O=C(Cl)c1c(F)cccc1F.

What is the InChIKey of 5-[1-(6-amino-3-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide?

The InChIKey is GCWHJVILXCUAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F5N6O3.C12H9F3N6O2.C7H3ClF2O/c1-29-18(32)33-17(28-29)12-7-13(19(22,23)24)30(27-12)9-5-6-14(25-8-9)26-16(31)15-10(20)3-2-4-11(15)21;1-20-11(22)23-10(19-20)7-4-8(12(13,14)15)21(18-7)6-2-3-9(16)17-5-6;8-7(11)6-4(9)2-1-3-5(6)10/h2-8H,1H3,(H,25,26,31);2-5H,1H3,(H2,16,17);1-3H.

What are the key properties of 5-[1-(6-amino-3-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide?

5-[1-(6-amino-3-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide has a molecular weight of 969.11 g/mol, XLogP of 6.74, 7 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(6-amino-3-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 158217747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).