2-[(2,4-dimethylphenyl)methyl]-3-pyridin-2-yl-7-(trifluoromethyl)indazole

C22H18F3N3 — CID 67021265

IUPAC2-[(2,4-dimethylphenyl)methyl]-3-pyridin-2-yl-7-(trifluoromethyl)indazole
SMILESCc1ccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccccn2)c(C)c1
InChIInChI=1S/C22H18F3N3/c1-14-9-10-16(15(2)12-14)13-28-21(19-8-3-4-11-26-19)17-6-5-7-18(20(17)27-28)22(23,24)25/h3-12H,13H2,1-2H3
InChIKeyFRAPRXULKSQEDT-UHFFFAOYSA-N
MW381.40 g/mol
LogP5.78
Rot. Bonds3

About 2-[(2,4-dimethylphenyl)methyl]-3-pyridin-2-yl-7-(trifluoromethyl)indazole

2-[(2,4-dimethylphenyl)methyl]-3-pyridin-2-yl-7-(trifluoromethyl)indazole (PubChem CID 67021265) has the molecular formula C22H18F3N3 and a molecular weight of 381.40 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)methyl]-3-pyridin-2-yl-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)methyl]-3-pyridin-2-yl-7-(trifluoromethyl)indazole
PubChem CID67021265
Molecular FormulaC22H18F3N3
Molecular Weight381.40 g/mol
Exact Mass381.15
IUPAC Name2-[(2,4-dimethylphenyl)methyl]-3-pyridin-2-yl-7-(trifluoromethyl)indazole
SMILESCc1ccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccccn2)c(C)c1
InChIInChI=1S/C22H18F3N3/c1-14-9-10-16(15(2)12-14)13-28-21(19-8-3-4-11-26-19)17-6-5-7-18(20(17)27-28)22(23,24)25/h3-12H,13H2,1-2H3
InChIKeyFRAPRXULKSQEDT-UHFFFAOYSA-N
XLogP5.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.40
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)methyl]-3-pyridin-2-yl-7-(trifluoromethyl)indazole?
The IUPAC name of 2-[(2,4-dimethylphenyl)methyl]-3-pyridin-2-yl-7-(trifluoromethyl)indazole (CID 67021265) is 2-[(2,4-dimethylphenyl)methyl]-3-pyridin-2-yl-7-(trifluoromethyl)indazole.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)methyl]-3-pyridin-2-yl-7-(trifluoromethyl)indazole?
The canonical SMILES for 2-[(2,4-dimethylphenyl)methyl]-3-pyridin-2-yl-7-(trifluoromethyl)indazole is Cc1ccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccccn2)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)methyl]-3-pyridin-2-yl-7-(trifluoromethyl)indazole?
The InChIKey is FRAPRXULKSQEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3/c1-14-9-10-16(15(2)12-14)13-28-21(19-8-3-4-11-26-19)17-6-5-7-18(20(17)27-28)22(23,24)25/h3-12H,13H2,1-2H3.
What are the key properties of 2-[(2,4-dimethylphenyl)methyl]-3-pyridin-2-yl-7-(trifluoromethyl)indazole?
2-[(2,4-dimethylphenyl)methyl]-3-pyridin-2-yl-7-(trifluoromethyl)indazole has a molecular weight of 381.40 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)methyl]-3-pyridin-2-yl-7-(trifluoromethyl)indazole is sourced from PubChem (CID 67021265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).