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

C16H9ClF5N5 — CID 134452591

IUPAC5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(C(F)F)c(-c2cc(Cl)c3[nH]ncc3c2)n2nc(C(F)(F)F)nc12
InChIInChI=1S/C16H9ClF5N5/c1-6-2-9(13(18)19)12(27-14(6)24-15(26-27)16(20,21)22)7-3-8-5-23-25-11(8)10(17)4-7/h2-5,13H,1H3,(H,23,25)
InChIKeyNNAPSWBSSLZNIM-UHFFFAOYSA-N
MW401.73 g/mol
LogP5.19
Rot. Bonds2

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

5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134452591) has the molecular formula C16H9ClF5N5 and a molecular weight of 401.73 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134452591
Molecular FormulaC16H9ClF5N5
Molecular Weight401.73 g/mol
Exact Mass401.05
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(C(F)F)c(-c2cc(Cl)c3[nH]ncc3c2)n2nc(C(F)(F)F)nc12
InChIInChI=1S/C16H9ClF5N5/c1-6-2-9(13(18)19)12(27-14(6)24-15(26-27)16(20,21)22)7-3-8-5-23-25-11(8)10(17)4-7/h2-5,13H,1H3,(H,23,25)
InChIKeyNNAPSWBSSLZNIM-UHFFFAOYSA-N
XLogP5.19
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.73
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(cyclopropylmethyl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
CID 137333978
5-Butyl-2-(3-chloro-phenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 135738640
6-N-[(3-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 168276088
6-N-[(4-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168280107
US11312712, Example 374
CID 122654337
US11312712, Example 314
CID 122654382
US11312712, Example 324
CID 122654405
US11312712, Example 370
CID 122654411
US11312712, Example 202
CID 122654423
3-(7-Chloro-1H-indazol-5-yl)-2-(difluoromethyl)-5-(trifluoromethyl)-3H-imidazo[4,5-b]pyridine
CID 122654438
3-(7-Chloro-1H-indazol-5-YL)-2,5-bis(trifluoromethyl)-3H-imidazo[4,5-B]pyridine
CID 122654449
US11312712, Example 414
CID 122654566

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134452591) is 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(C(F)F)c(-c2cc(Cl)c3[nH]ncc3c2)n2nc(C(F)(F)F)nc12.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NNAPSWBSSLZNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF5N5/c1-6-2-9(13(18)19)12(27-14(6)24-15(26-27)16(20,21)22)7-3-8-5-23-25-11(8)10(17)4-7/h2-5,13H,1H3,(H,23,25).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 401.73 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134452591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).