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

C17H13ClF3N5 — CID 134452826

IUPAC8-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)c1nc2c(-c3cc(Cl)c4[nH]ncc4c3)c(C(F)(F)F)ccn2n1
InChIInChI=1S/C17H13ClF3N5/c1-8(2)15-23-16-13(11(17(19,20)21)3-4-26(16)25-15)9-5-10-7-22-24-14(10)12(18)6-9/h3-8H,1-2H3,(H,22,24)
InChIKeyJBJVUUZVRBFXJA-UHFFFAOYSA-N
MW379.77 g/mol
LogP5.07
Rot. Bonds2

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

8-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134452826) has the molecular formula C17H13ClF3N5 and a molecular weight of 379.77 g/mol. Its IUPAC name is 8-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134452826
Molecular FormulaC17H13ClF3N5
Molecular Weight379.77 g/mol
Exact Mass379.08
IUPAC Name8-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)c1nc2c(-c3cc(Cl)c4[nH]ncc4c3)c(C(F)(F)F)ccn2n1
InChIInChI=1S/C17H13ClF3N5/c1-8(2)15-23-16-13(11(17(19,20)21)3-4-26(16)25-15)9-5-10-7-22-24-14(10)12(18)6-9/h3-8H,1-2H3,(H,22,24)
InChIKeyJBJVUUZVRBFXJA-UHFFFAOYSA-N
XLogP5.07
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.77
LogP ≤ 55.07
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
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Pyrazole 79
CID 23647348
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
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6-N-[(4-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
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3-(4-chloro-1H-indol-2-yl)-1-isopropyl-pyrazolo[3,4-d]pyrimidin-4-amine
CID 135998453
N-[4-chloro-2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 24971379
6-chloro-N-(cyclopropylmethyl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
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1-(3-(5-chloro-4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl)-N,N-dimethylmethanamine
CID 44526805
6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 168269148
6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine
CID 10426186
3-(1H-indol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905188
3-(2-chloroquinolin-6-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 8-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134452826) is 8-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is CC(C)c1nc2c(-c3cc(Cl)c4[nH]ncc4c3)c(C(F)(F)F)ccn2n1.
What is the InChIKey of 8-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is JBJVUUZVRBFXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N5/c1-8(2)15-23-16-13(11(17(19,20)21)3-4-26(16)25-15)9-5-10-7-22-24-14(10)12(18)6-9/h3-8H,1-2H3,(H,22,24).
What are the key properties of 8-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
8-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 379.77 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134452826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).