N-[6-[2-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

C26H17F4N7O — CID 73052395

IUPACN-[6-[2-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(-c3cccc(C(F)(F)F)c3)c(C)c(-c3ccnn3-c3ccc(C#N)cc3F)cn2n1
InChIInChI=1S/C26H17F4N7O/c1-14-19(21-8-9-32-37(21)22-7-6-16(12-31)10-20(22)27)13-36-24(34-25(35-36)33-15(2)38)23(14)17-4-3-5-18(11-17)26(28,29)30/h3-11,13H,1-2H3,(H,33,35,38)
InChIKeyRGLISBGGSQKZLI-UHFFFAOYSA-N
MW519.46 g/mol
LogP5.55
Rot. Bonds4

About N-[6-[2-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

N-[6-[2-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (PubChem CID 73052395) has the molecular formula C26H17F4N7O and a molecular weight of 519.46 g/mol. Its IUPAC name is N-[6-[2-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
PubChem CID73052395
Molecular FormulaC26H17F4N7O
Molecular Weight519.46 g/mol
Exact Mass519.14
IUPAC NameN-[6-[2-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(-c3cccc(C(F)(F)F)c3)c(C)c(-c3ccnn3-c3ccc(C#N)cc3F)cn2n1
InChIInChI=1S/C26H17F4N7O/c1-14-19(21-8-9-32-37(21)22-7-6-16(12-31)10-20(22)27)13-36-24(34-25(35-36)33-15(2)38)23(14)17-4-3-5-18(11-17)26(28,29)30/h3-11,13H,1-2H3,(H,33,35,38)
InChIKeyRGLISBGGSQKZLI-UHFFFAOYSA-N
XLogP5.55
TPSA100.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.46
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The IUPAC name of N-[6-[2-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (CID 73052395) is N-[6-[2-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[6-[2-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The canonical SMILES for N-[6-[2-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is CC(=O)Nc1nc2c(-c3cccc(C(F)(F)F)c3)c(C)c(-c3ccnn3-c3ccc(C#N)cc3F)cn2n1.
What is the InChIKey of N-[6-[2-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The InChIKey is RGLISBGGSQKZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F4N7O/c1-14-19(21-8-9-32-37(21)22-7-6-16(12-31)10-20(22)27)13-36-24(34-25(35-36)33-15(2)38)23(14)17-4-3-5-18(11-17)26(28,29)30/h3-11,13H,1-2H3,(H,33,35,38).
What are the key properties of N-[6-[2-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
N-[6-[2-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide has a molecular weight of 519.46 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 73052395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).