6-(difluoromethyl)-8-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C18H14F5N5 — CID 134452597

IUPAC6-(difluoromethyl)-8-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1cc(C(F)F)c(-c2cc(C)c3[nH]ncc3c2)n2nc(C(F)(F)F)nc12
InChIInChI=1S/C18H14F5N5/c1-3-9-6-12(15(19)20)14(28-16(9)25-17(27-28)18(21,22)23)10-4-8(2)13-11(5-10)7-24-26-13/h4-7,15H,3H2,1-2H3,(H,24,26)
InChIKeyPFUQZZGDQLKPCK-UHFFFAOYSA-N
MW395.34 g/mol
LogP5.10
Rot. Bonds3

About 6-(difluoromethyl)-8-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

6-(difluoromethyl)-8-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134452597) has the molecular formula C18H14F5N5 and a molecular weight of 395.34 g/mol. Its IUPAC name is 6-(difluoromethyl)-8-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-8-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134452597
Molecular FormulaC18H14F5N5
Molecular Weight395.34 g/mol
Exact Mass395.12
IUPAC Name6-(difluoromethyl)-8-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1cc(C(F)F)c(-c2cc(C)c3[nH]ncc3c2)n2nc(C(F)(F)F)nc12
InChIInChI=1S/C18H14F5N5/c1-3-9-6-12(15(19)20)14(28-16(9)25-17(27-28)18(21,22)23)10-4-8(2)13-11(5-10)7-24-26-13/h4-7,15H,3H2,1-2H3,(H,24,26)
InChIKeyPFUQZZGDQLKPCK-UHFFFAOYSA-N
XLogP5.10
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.34
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Vebreltinib
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1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
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6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
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1-Tert-Butyl-3-[(1h-Indol-3-Yl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 129316173
6-[6-(1H-pyrazol-4-yl)-[1,2,3]triazolo[4,5-b]pyrazin-1-ylmethyl]-quinoline
CID 24851953
6-[Difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 57338725
2-methyl-2-(3-(3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl)butan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-8-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-(difluoromethyl)-8-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134452597) is 6-(difluoromethyl)-8-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-(difluoromethyl)-8-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-(difluoromethyl)-8-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is CCc1cc(C(F)F)c(-c2cc(C)c3[nH]ncc3c2)n2nc(C(F)(F)F)nc12.
What is the InChIKey of 6-(difluoromethyl)-8-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is PFUQZZGDQLKPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F5N5/c1-3-9-6-12(15(19)20)14(28-16(9)25-17(27-28)18(21,22)23)10-4-8(2)13-11(5-10)7-24-26-13/h4-7,15H,3H2,1-2H3,(H,24,26).
What are the key properties of 6-(difluoromethyl)-8-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
6-(difluoromethyl)-8-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 395.34 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-8-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134452597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).