N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

C18H13F3N6O — CID 136530222

IUPACN-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc2ncnn12
InChIInChI=1S/C18H13F3N6O/c19-18(20,21)15-8-9-26(25-15)13-6-4-12(5-7-13)10-22-17(28)14-2-1-3-16-23-11-24-27(14)16/h1-9,11H,10H2,(H,22,28)
InChIKeyFVWWNTIVJDEWOU-UHFFFAOYSA-N
MW386.34 g/mol
LogP2.86
Rot. Bonds4

About N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 136530222) has the molecular formula C18H13F3N6O and a molecular weight of 386.34 g/mol. Its IUPAC name is N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
PubChem CID136530222
Molecular FormulaC18H13F3N6O
Molecular Weight386.34 g/mol
Exact Mass386.11
IUPAC NameN-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc2ncnn12
InChIInChI=1S/C18H13F3N6O/c19-18(20,21)15-8-9-26(25-15)13-6-4-12(5-7-13)10-22-17(28)14-2-1-3-16-23-11-24-27(14)16/h1-9,11H,10H2,(H,22,28)
InChIKeyFVWWNTIVJDEWOU-UHFFFAOYSA-N
XLogP2.86
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (CID 136530222) is N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc2ncnn12.
What is the InChIKey of N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is FVWWNTIVJDEWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6O/c19-18(20,21)15-8-9-26(25-15)13-6-4-12(5-7-13)10-22-17(28)14-2-1-3-16-23-11-24-27(14)16/h1-9,11H,10H2,(H,22,28).
What are the key properties of N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 386.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 136530222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).