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

C18H13F5N4 — CID 134452627

IUPAC6-(difluoromethyl)-4-methyl-7-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(C(F)F)cc(C)c3cc(C(F)(F)F)nn23)cc2cn[nH]c12
InChIInChI=1S/C18H13F5N4/c1-8-4-12(17(19)20)16(27-13(8)6-14(26-27)18(21,22)23)10-3-9(2)15-11(5-10)7-24-25-15/h3-7,17H,1-2H3,(H,24,25)
InChIKeyIMESJSTYBQGCOM-UHFFFAOYSA-N
MW380.32 g/mol
LogP5.45
Rot. Bonds2

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

6-(difluoromethyl)-4-methyl-7-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine (PubChem CID 134452627) has the molecular formula C18H13F5N4 and a molecular weight of 380.32 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-methyl-7-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-4-methyl-7-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
PubChem CID134452627
Molecular FormulaC18H13F5N4
Molecular Weight380.32 g/mol
Exact Mass380.11
IUPAC Name6-(difluoromethyl)-4-methyl-7-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(C(F)F)cc(C)c3cc(C(F)(F)F)nn23)cc2cn[nH]c12
InChIInChI=1S/C18H13F5N4/c1-8-4-12(17(19)20)16(27-13(8)6-14(26-27)18(21,22)23)10-3-9(2)15-11(5-10)7-24-25-15/h3-7,17H,1-2H3,(H,24,25)
InChIKeyIMESJSTYBQGCOM-UHFFFAOYSA-N
XLogP5.45
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.32
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-methyl-7-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 6-(difluoromethyl)-4-methyl-7-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine (CID 134452627) is 6-(difluoromethyl)-4-methyl-7-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 6-(difluoromethyl)-4-methyl-7-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 6-(difluoromethyl)-4-methyl-7-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine is Cc1cc(-c2c(C(F)F)cc(C)c3cc(C(F)(F)F)nn23)cc2cn[nH]c12.
What is the InChIKey of 6-(difluoromethyl)-4-methyl-7-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The InChIKey is IMESJSTYBQGCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F5N4/c1-8-4-12(17(19)20)16(27-13(8)6-14(26-27)18(21,22)23)10-3-9(2)15-11(5-10)7-24-25-15/h3-7,17H,1-2H3,(H,24,25).
What are the key properties of 6-(difluoromethyl)-4-methyl-7-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
6-(difluoromethyl)-4-methyl-7-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine has a molecular weight of 380.32 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-methyl-7-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 134452627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).