2-(3-fluoropyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide

C21H20F4N8O — CID 158575465

IUPAC2-(3-fluoropyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
SMILESCn1ncc(-c2cccc(C(F)(F)F)n2)c1C(N)=O.FC1CCN(c2nc3ccccn3n2)C1
InChIInChI=1S/C11H9F3N4O.C10H11FN4/c1-18-9(10(15)19)6(5-16-18)7-3-2-4-8(17-7)11(12,13)14;11-8-4-6-14(7-8)10-12-9-3-1-2-5-15(9)13-10/h2-5H,1H3,(H2,15,19);1-3,5,8H,4,6-7H2
InChIKeyHSPIMXLWSNYOAE-UHFFFAOYSA-N
MW476.44 g/mol
LogP2.88
Rot. Bonds3

About 2-(3-fluoropyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide

2-(3-fluoropyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide (PubChem CID 158575465) has the molecular formula C21H20F4N8O and a molecular weight of 476.44 g/mol. Its IUPAC name is 2-(3-fluoropyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-fluoropyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
PubChem CID158575465
Molecular FormulaC21H20F4N8O
Molecular Weight476.44 g/mol
Exact Mass476.17
IUPAC Name2-(3-fluoropyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
SMILESCn1ncc(-c2cccc(C(F)(F)F)n2)c1C(N)=O.FC1CCN(c2nc3ccccn3n2)C1
InChIInChI=1S/C11H9F3N4O.C10H11FN4/c1-18-9(10(15)19)6(5-16-18)7-3-2-4-8(17-7)11(12,13)14;11-8-4-6-14(7-8)10-12-9-3-1-2-5-15(9)13-10/h2-5H,1H3,(H2,15,19);1-3,5,8H,4,6-7H2
InChIKeyHSPIMXLWSNYOAE-UHFFFAOYSA-N
XLogP2.88
TPSA107.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
The IUPAC name of 2-(3-fluoropyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide (CID 158575465) is 2-(3-fluoropyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide.
What is the SMILES notation for 2-(3-fluoropyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
The canonical SMILES for 2-(3-fluoropyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide is Cn1ncc(-c2cccc(C(F)(F)F)n2)c1C(N)=O.FC1CCN(c2nc3ccccn3n2)C1.
What is the InChIKey of 2-(3-fluoropyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
The InChIKey is HSPIMXLWSNYOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O.C10H11FN4/c1-18-9(10(15)19)6(5-16-18)7-3-2-4-8(17-7)11(12,13)14;11-8-4-6-14(7-8)10-12-9-3-1-2-5-15(9)13-10/h2-5H,1H3,(H2,15,19);1-3,5,8H,4,6-7H2.
What are the key properties of 2-(3-fluoropyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
2-(3-fluoropyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide has a molecular weight of 476.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide is sourced from PubChem (CID 158575465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).