N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide

C23H15F4N7O — CID 90383097

IUPACN-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
SMILESCn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)Nc1cc2nc(-c3ccccc3)nn2cc1F
InChIInChI=1S/C23H15F4N7O/c1-33-20(14(11-28-33)16-8-5-9-18(29-16)23(25,26)27)22(35)30-17-10-19-31-21(13-6-3-2-4-7-13)32-34(19)12-15(17)24/h2-12H,1H3,(H,30,35)
InChIKeyXYZXEHRIYPRZQL-UHFFFAOYSA-N
MW481.41 g/mol
LogP4.60
Rot. Bonds4

About N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide

N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide (PubChem CID 90383097) has the molecular formula C23H15F4N7O and a molecular weight of 481.41 g/mol. Its IUPAC name is N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
PubChem CID90383097
Molecular FormulaC23H15F4N7O
Molecular Weight481.41 g/mol
Exact Mass481.13
IUPAC NameN-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
SMILESCn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)Nc1cc2nc(-c3ccccc3)nn2cc1F
InChIInChI=1S/C23H15F4N7O/c1-33-20(14(11-28-33)16-8-5-9-18(29-16)23(25,26)27)22(35)30-17-10-19-31-21(13-6-3-2-4-7-13)32-34(19)12-15(17)24/h2-12H,1H3,(H,30,35)
InChIKeyXYZXEHRIYPRZQL-UHFFFAOYSA-N
XLogP4.60
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
The IUPAC name of N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide (CID 90383097) is N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide.
What is the SMILES notation for N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
The canonical SMILES for N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide is Cn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)Nc1cc2nc(-c3ccccc3)nn2cc1F.
What is the InChIKey of N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
The InChIKey is XYZXEHRIYPRZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4N7O/c1-33-20(14(11-28-33)16-8-5-9-18(29-16)23(25,26)27)22(35)30-17-10-19-31-21(13-6-3-2-4-7-13)32-34(19)12-15(17)24/h2-12H,1H3,(H,30,35).
What are the key properties of N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide has a molecular weight of 481.41 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide is sourced from PubChem (CID 90383097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).