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

C31H21Cl2F5N10O — CID 155068366

IUPAC5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine;5-(7-chloro-1H-indazol-5-yl)-2-methoxy-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2ccc(C(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1.COc1nc2ccc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C16H12ClF2N5.C15H9ClF3N5O/c1-2-12-21-13-4-3-10(16(18)19)15(24(13)23-12)8-5-9-7-20-22-14(9)11(17)6-8;1-25-14-21-11-3-2-9(15(17,18)19)13(24(11)23-14)7-4-8-6-20-22-12(8)10(16)5-7/h3-7,16H,2H2,1H3,(H,20,22);2-6H,1H3,(H,20,22)
InChIKeyHTHKUORMCUEKLW-UHFFFAOYSA-N
MW715.47 g/mol
LogP8.38
Rot. Bonds5

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

5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine;5-(7-chloro-1H-indazol-5-yl)-2-methoxy-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 155068366) has the molecular formula C31H21Cl2F5N10O and a molecular weight of 715.47 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine;5-(7-chloro-1H-indazol-5-yl)-2-methoxy-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine;5-(7-chloro-1H-indazol-5-yl)-2-methoxy-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID155068366
Molecular FormulaC31H21Cl2F5N10O
Molecular Weight715.47 g/mol
Exact Mass714.12
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine;5-(7-chloro-1H-indazol-5-yl)-2-methoxy-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2ccc(C(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1.COc1nc2ccc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C16H12ClF2N5.C15H9ClF3N5O/c1-2-12-21-13-4-3-10(16(18)19)15(24(13)23-12)8-5-9-7-20-22-14(9)11(17)6-8;1-25-14-21-11-3-2-9(15(17,18)19)13(24(11)23-14)7-4-8-6-20-22-12(8)10(16)5-7/h3-7,16H,2H2,1H3,(H,20,22);2-6H,1H3,(H,20,22)
InChIKeyHTHKUORMCUEKLW-UHFFFAOYSA-N
XLogP8.38
TPSA126.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.47
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine;5-(7-chloro-1H-indazol-5-yl)-2-methoxy-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine;5-(7-chloro-1H-indazol-5-yl)-2-methoxy-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine;5-(7-chloro-1H-indazol-5-yl)-2-methoxy-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 155068366) is 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine;5-(7-chloro-1H-indazol-5-yl)-2-methoxy-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine;5-(7-chloro-1H-indazol-5-yl)-2-methoxy-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine;5-(7-chloro-1H-indazol-5-yl)-2-methoxy-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is CCc1nc2ccc(C(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1.COc1nc2ccc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine;5-(7-chloro-1H-indazol-5-yl)-2-methoxy-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HTHKUORMCUEKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N5.C15H9ClF3N5O/c1-2-12-21-13-4-3-10(16(18)19)15(24(13)23-12)8-5-9-7-20-22-14(9)11(17)6-8;1-25-14-21-11-3-2-9(15(17,18)19)13(24(11)23-14)7-4-8-6-20-22-12(8)10(16)5-7/h3-7,16H,2H2,1H3,(H,20,22);2-6H,1H3,(H,20,22).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine;5-(7-chloro-1H-indazol-5-yl)-2-methoxy-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine;5-(7-chloro-1H-indazol-5-yl)-2-methoxy-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 715.47 g/mol, XLogP of 8.38, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine;5-(7-chloro-1H-indazol-5-yl)-2-methoxy-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 155068366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).