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

C17H10ClF5N4 — CID 134452629

IUPAC7-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCc1cc(C(F)F)c(-c2cc(Cl)c3[nH]ncc3c2)n2nc(C(F)(F)F)cc12
InChIInChI=1S/C17H10ClF5N4/c1-7-2-10(16(19)20)15(27-12(7)5-13(26-27)17(21,22)23)8-3-9-6-24-25-14(9)11(18)4-8/h2-6,16H,1H3,(H,24,25)
InChIKeyCHBUSDXONXWTMY-UHFFFAOYSA-N
MW400.74 g/mol
LogP5.80
Rot. Bonds2

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

7-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine (PubChem CID 134452629) has the molecular formula C17H10ClF5N4 and a molecular weight of 400.74 g/mol. Its IUPAC name is 7-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
PubChem CID134452629
Molecular FormulaC17H10ClF5N4
Molecular Weight400.74 g/mol
Exact Mass400.05
IUPAC Name7-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCc1cc(C(F)F)c(-c2cc(Cl)c3[nH]ncc3c2)n2nc(C(F)(F)F)cc12
InChIInChI=1S/C17H10ClF5N4/c1-7-2-10(16(19)20)15(27-12(7)5-13(26-27)17(21,22)23)8-3-9-6-24-25-14(9)11(18)4-8/h2-6,16H,1H3,(H,24,25)
InChIKeyCHBUSDXONXWTMY-UHFFFAOYSA-N
XLogP5.80
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.74
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-(3-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166250
US10100045, Example 34
CID 134449809
US10100045, Example 40
CID 134449812
US10100045, Example 31
CID 134449986
US10100045, Example 28
CID 134450009
US10100045, Example 8
CID 134450037
US10100045, Example 23
CID 134450039
US10100045, Example 27
CID 134450040
US10100045, Example 12
CID 134450041
US10100045, Example 30
CID 134450044
US10100045, Example 16
CID 134450053
US10155769, Example 23
CID 134450121

Frequently Asked Questions

What is the IUPAC name of 7-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 7-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine (CID 134452629) is 7-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 7-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine is Cc1cc(C(F)F)c(-c2cc(Cl)c3[nH]ncc3c2)n2nc(C(F)(F)F)cc12.
What is the InChIKey of 7-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The InChIKey is CHBUSDXONXWTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF5N4/c1-7-2-10(16(19)20)15(27-12(7)5-13(26-27)17(21,22)23)8-3-9-6-24-25-14(9)11(18)4-8/h2-6,16H,1H3,(H,24,25).
What are the key properties of 7-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
7-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine has a molecular weight of 400.74 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 134452629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).