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

C17H12F5N5 — CID 134452615

IUPAC6-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(C(F)F)cc(C)c3nc(C(F)(F)F)nn23)cc2cn[nH]c12
InChIInChI=1S/C17H12F5N5/c1-7-3-9(5-10-6-23-25-12(7)10)13-11(14(18)19)4-8(2)15-24-16(17(20,21)22)26-27(13)15/h3-6,14H,1-2H3,(H,23,25)
InChIKeyXWHUWMZTSMIXDJ-UHFFFAOYSA-N
MW381.31 g/mol
LogP4.85
Rot. Bonds2

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

6-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134452615) has the molecular formula C17H12F5N5 and a molecular weight of 381.31 g/mol. Its IUPAC name is 6-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134452615
Molecular FormulaC17H12F5N5
Molecular Weight381.31 g/mol
Exact Mass381.10
IUPAC Name6-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(C(F)F)cc(C)c3nc(C(F)(F)F)nn23)cc2cn[nH]c12
InChIInChI=1S/C17H12F5N5/c1-7-3-9(5-10-6-23-25-12(7)10)13-11(14(18)19)4-8(2)15-24-16(17(20,21)22)26-27(13)15/h3-6,14H,1-2H3,(H,23,25)
InChIKeyXWHUWMZTSMIXDJ-UHFFFAOYSA-N
XLogP4.85
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 54.85
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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Pyrazole 79
CID 23647348
6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
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3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
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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-methyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134452615) is 6-(difluoromethyl)-8-methyl-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-methyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2c(C(F)F)cc(C)c3nc(C(F)(F)F)nn23)cc2cn[nH]c12.
What is the InChIKey of 6-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is XWHUWMZTSMIXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F5N5/c1-7-3-9(5-10-6-23-25-12(7)10)13-11(14(18)19)4-8(2)15-24-16(17(20,21)22)26-27(13)15/h3-6,14H,1-2H3,(H,23,25).
What are the key properties of 6-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
6-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 381.31 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134452615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).