N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6-dihydroisoquinolin-1-amine

C23H17F3N4 — CID 142127893

IUPACN-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6-dihydroisoquinolin-1-amine
SMILESFC(F)(F)c1ccccc1-c1cc2c(c(Nc3n[nH]c4ccccc34)n1)C=CCC2
InChIInChI=1S/C23H17F3N4/c24-23(25,26)18-11-5-3-9-16(18)20-13-14-7-1-2-8-15(14)21(27-20)28-22-17-10-4-6-12-19(17)29-30-22/h2-6,8-13H,1,7H2,(H2,27,28,29,30)
InChIKeyRFKNVEMIGZZICX-UHFFFAOYSA-N
MW406.41 g/mol
LogP6.35
Rot. Bonds3

About N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6-dihydroisoquinolin-1-amine

N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6-dihydroisoquinolin-1-amine (PubChem CID 142127893) has the molecular formula C23H17F3N4 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6-dihydroisoquinolin-1-amine.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6-dihydroisoquinolin-1-amine
PubChem CID142127893
Molecular FormulaC23H17F3N4
Molecular Weight406.41 g/mol
Exact Mass406.14
IUPAC NameN-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6-dihydroisoquinolin-1-amine
SMILESFC(F)(F)c1ccccc1-c1cc2c(c(Nc3n[nH]c4ccccc34)n1)C=CCC2
InChIInChI=1S/C23H17F3N4/c24-23(25,26)18-11-5-3-9-16(18)20-13-14-7-1-2-8-15(14)21(27-20)28-22-17-10-4-6-12-19(17)29-30-22/h2-6,8-13H,1,7H2,(H2,27,28,29,30)
InChIKeyRFKNVEMIGZZICX-UHFFFAOYSA-N
XLogP6.35
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;vanadium
CID 158208179
N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine;vanadium
CID 159535152
N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
CID 10181551
N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine
CID 20626371
N-[6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 10137656
N-[6-(1-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 20626488
actinium;N-[6-piperidin-1-id-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 20626308
N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 20626456
N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 10116278
N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine
CID 10158765
N-[5-(1H-imidazol-2-yl)-4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
CID 10159166
N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
CID 59213016

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6-dihydroisoquinolin-1-amine?
The IUPAC name of N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6-dihydroisoquinolin-1-amine (CID 142127893) is N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6-dihydroisoquinolin-1-amine.
What is the SMILES notation for N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6-dihydroisoquinolin-1-amine?
The canonical SMILES for N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6-dihydroisoquinolin-1-amine is FC(F)(F)c1ccccc1-c1cc2c(c(Nc3n[nH]c4ccccc34)n1)C=CCC2.
What is the InChIKey of N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6-dihydroisoquinolin-1-amine?
The InChIKey is RFKNVEMIGZZICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4/c24-23(25,26)18-11-5-3-9-16(18)20-13-14-7-1-2-8-15(14)21(27-20)28-22-17-10-4-6-12-19(17)29-30-22/h2-6,8-13H,1,7H2,(H2,27,28,29,30).
What are the key properties of N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6-dihydroisoquinolin-1-amine?
N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6-dihydroisoquinolin-1-amine has a molecular weight of 406.41 g/mol, XLogP of 6.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6-dihydroisoquinolin-1-amine is sourced from PubChem (CID 142127893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).