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

C17H12F5N5 — CID 134457988

IUPAC2-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(C(F)(F)F)cc(C)c3nc(C(F)F)nn23)cc2cn[nH]c12
InChIInChI=1S/C17H12F5N5/c1-7-3-9(5-10-6-23-25-12(7)10)13-11(17(20,21)22)4-8(2)16-24-15(14(18)19)26-27(13)16/h3-6,14H,1-2H3,(H,23,25)
InChIKeyPZTLFTSBBRDLMI-UHFFFAOYSA-N
MW381.31 g/mol
LogP4.85
Rot. Bonds2

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

2-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134457988) has the molecular formula C17H12F5N5 and a molecular weight of 381.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134457988
Molecular FormulaC17H12F5N5
Molecular Weight381.31 g/mol
Exact Mass381.10
IUPAC Name2-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(C(F)(F)F)cc(C)c3nc(C(F)F)nn23)cc2cn[nH]c12
InChIInChI=1S/C17H12F5N5/c1-7-3-9(5-10-6-23-25-12(7)10)13-11(17(20,21)22)4-8(2)16-24-15(14(18)19)26-27(13)16/h3-6,14H,1-2H3,(H,23,25)
InChIKeyPZTLFTSBBRDLMI-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

6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
CID 46911863
Ly-2584702
CID 25118925
Ag-24322
CID 135413565
Vebreltinib
CID 72202701
PF-04254644
CID 24871823
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 10040667
Pyrazole 79
CID 23647348
4-Ethyl-6-[5-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[2,3-B]pyridin-3-Yl]pyrimidin-2-Amine
CID 25165773
6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
CID 46174165
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
1-Tert-Butyl-3-[(1h-Indol-3-Yl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 129316173

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134457988) is 2-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2c(C(F)(F)F)cc(C)c3nc(C(F)F)nn23)cc2cn[nH]c12.
What is the InChIKey of 2-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is PZTLFTSBBRDLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F5N5/c1-7-3-9(5-10-6-23-25-12(7)10)13-11(17(20,21)22)4-8(2)16-24-15(14(18)19)26-27(13)16/h3-6,14H,1-2H3,(H,23,25).
What are the key properties of 2-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
2-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-6-(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 2-(difluoromethyl)-8-methyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134457988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).