4-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-methylpyridin-2-one

C24H21F3N8O — CID 155214283

IUPAC4-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-methylpyridin-2-one
SMILESCCC(c1ccc(C(F)(F)F)nc1)n1cc(-c2cc(-c3ccn(C)c(=O)c3)c3nc(N)nn3c2)cn1
InChIInChI=1S/C24H21F3N8O/c1-3-19(15-4-5-20(29-10-15)24(25,26)27)34-13-17(11-30-34)16-8-18(14-6-7-33(2)21(36)9-14)22-31-23(28)32-35(22)12-16/h4-13,19H,3H2,1-2H3,(H2,28,32)
InChIKeyFOBJSZIENIYUDF-UHFFFAOYSA-N
MW494.48 g/mol
LogP3.95
Rot. Bonds5

About 4-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-methylpyridin-2-one

4-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-methylpyridin-2-one (PubChem CID 155214283) has the molecular formula C24H21F3N8O and a molecular weight of 494.48 g/mol. Its IUPAC name is 4-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-methylpyridin-2-one
PubChem CID155214283
Molecular FormulaC24H21F3N8O
Molecular Weight494.48 g/mol
Exact Mass494.18
IUPAC Name4-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-methylpyridin-2-one
SMILESCCC(c1ccc(C(F)(F)F)nc1)n1cc(-c2cc(-c3ccn(C)c(=O)c3)c3nc(N)nn3c2)cn1
InChIInChI=1S/C24H21F3N8O/c1-3-19(15-4-5-20(29-10-15)24(25,26)27)34-13-17(11-30-34)16-8-18(14-6-7-33(2)21(36)9-14)22-31-23(28)32-35(22)12-16/h4-13,19H,3H2,1-2H3,(H2,28,32)
InChIKeyFOBJSZIENIYUDF-UHFFFAOYSA-N
XLogP3.95
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-methylpyridin-2-one (CID 155214283) is 4-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-methylpyridin-2-one is CCC(c1ccc(C(F)(F)F)nc1)n1cc(-c2cc(-c3ccn(C)c(=O)c3)c3nc(N)nn3c2)cn1.
What is the InChIKey of 4-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-methylpyridin-2-one?
The InChIKey is FOBJSZIENIYUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N8O/c1-3-19(15-4-5-20(29-10-15)24(25,26)27)34-13-17(11-30-34)16-8-18(14-6-7-33(2)21(36)9-14)22-31-23(28)32-35(22)12-16/h4-13,19H,3H2,1-2H3,(H2,28,32).
What are the key properties of 4-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-methylpyridin-2-one?
4-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-methylpyridin-2-one has a molecular weight of 494.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 155214283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).