N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine

C23H15F3N4 — CID 10179350

IUPACN-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine
SMILESFC(F)(F)c1ccccc1-c1cc2ccccc2c(Nc2n[nH]c3ccccc23)n1
InChIInChI=1S/C23H15F3N4/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/h1-13H,(H2,27,28,29,30)
InChIKeyQXXLSAXGMDCZNG-UHFFFAOYSA-N
MW404.40 g/mol
LogP6.54
Rot. Bonds3

About N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine

N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine (PubChem CID 10179350) has the molecular formula C23H15F3N4 and a molecular weight of 404.40 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine
PubChem CID10179350
Molecular FormulaC23H15F3N4
Molecular Weight404.40 g/mol
Exact Mass404.12
IUPAC NameN-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine
SMILESFC(F)(F)c1ccccc1-c1cc2ccccc2c(Nc2n[nH]c3ccccc23)n1
InChIInChI=1S/C23H15F3N4/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/h1-13H,(H2,27,28,29,30)
InChIKeyQXXLSAXGMDCZNG-UHFFFAOYSA-N
XLogP6.54
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.40
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
6-phenyl-~{N}3-[4-(trifluoromethyl)phenyl]-1~{H}-pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 71549763
5-methyl-N-(2-naphthyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71594991
F0307-0132
CID 722331
4,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 2048804
N2-methyl-N4-(5-methyl-1H-pyrazol-3-yl)-N2-phenylquinazoline-2,4-diamine
CID 9858715
2-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 9924438
N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylquinazolin-4-amine
CID 9946460
N4-(5-methyl-1H-pyrazol-3-yl)-N2-phenylquinazoline-2,4-diamine
CID 10267834
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-quinazolin-4-amine
CID 10268287
4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine
CID 11140796

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine?
The IUPAC name of N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine (CID 10179350) is N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine.
What is the SMILES notation for N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine?
The canonical SMILES for N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine is FC(F)(F)c1ccccc1-c1cc2ccccc2c(Nc2n[nH]c3ccccc23)n1.
What is the InChIKey of N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine?
The InChIKey is QXXLSAXGMDCZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4/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/h1-13H,(H2,27,28,29,30).
What are the key properties of N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine?
N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine has a molecular weight of 404.40 g/mol, XLogP of 6.54, 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]isoquinolin-1-amine is sourced from PubChem (CID 10179350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).