2,3,4-trifluoro-N-[5-[5-(fluoromethyl)-3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-2-pyridinyl]benzamide

C19H12F4N6O3 — CID 118031101

IUPAC2,3,4-trifluoro-N-[5-[5-(fluoromethyl)-3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-2-pyridinyl]benzamide
SMILESCn1nc(-c2cc(CF)n(-c3ccc(NC(=O)c4ccc(F)c(F)c4F)nc3)n2)oc1=O
InChIInChI=1S/C19H12F4N6O3/c1-28-19(31)32-18(27-28)13-6-10(7-20)29(26-13)9-2-5-14(24-8-9)25-17(30)11-3-4-12(21)16(23)15(11)22/h2-6,8H,7H2,1H3,(H,24,25,30)
InChIKeyQTGFDZLOLDEIHP-UHFFFAOYSA-N
MW448.34 g/mol
LogP2.76
Rot. Bonds5

About 2,3,4-trifluoro-N-[5-[5-(fluoromethyl)-3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-2-pyridinyl]benzamide

2,3,4-trifluoro-N-[5-[5-(fluoromethyl)-3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-2-pyridinyl]benzamide (PubChem CID 118031101) has the molecular formula C19H12F4N6O3 and a molecular weight of 448.34 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[5-[5-(fluoromethyl)-3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[5-[5-(fluoromethyl)-3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-2-pyridinyl]benzamide
PubChem CID118031101
Molecular FormulaC19H12F4N6O3
Molecular Weight448.34 g/mol
Exact Mass448.09
IUPAC Name2,3,4-trifluoro-N-[5-[5-(fluoromethyl)-3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-2-pyridinyl]benzamide
SMILESCn1nc(-c2cc(CF)n(-c3ccc(NC(=O)c4ccc(F)c(F)c4F)nc3)n2)oc1=O
InChIInChI=1S/C19H12F4N6O3/c1-28-19(31)32-18(27-28)13-6-10(7-20)29(26-13)9-2-5-14(24-8-9)25-17(30)11-3-4-12(21)16(23)15(11)22/h2-6,8H,7H2,1H3,(H,24,25,30)
InChIKeyQTGFDZLOLDEIHP-UHFFFAOYSA-N
XLogP2.76
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[5-[5-(fluoromethyl)-3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[5-[5-(fluoromethyl)-3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-2-pyridinyl]benzamide (CID 118031101) is 2,3,4-trifluoro-N-[5-[5-(fluoromethyl)-3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[5-[5-(fluoromethyl)-3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[5-[5-(fluoromethyl)-3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-2-pyridinyl]benzamide is Cn1nc(-c2cc(CF)n(-c3ccc(NC(=O)c4ccc(F)c(F)c4F)nc3)n2)oc1=O.
What is the InChIKey of 2,3,4-trifluoro-N-[5-[5-(fluoromethyl)-3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-2-pyridinyl]benzamide?
The InChIKey is QTGFDZLOLDEIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N6O3/c1-28-19(31)32-18(27-28)13-6-10(7-20)29(26-13)9-2-5-14(24-8-9)25-17(30)11-3-4-12(21)16(23)15(11)22/h2-6,8H,7H2,1H3,(H,24,25,30).
What are the key properties of 2,3,4-trifluoro-N-[5-[5-(fluoromethyl)-3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-2-pyridinyl]benzamide?
2,3,4-trifluoro-N-[5-[5-(fluoromethyl)-3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-2-pyridinyl]benzamide has a molecular weight of 448.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[5-[5-(fluoromethyl)-3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 118031101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).