N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C23H17F6N5 — CID 10205869

IUPACN-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESFC(F)(F)c1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCC4)c2c1
InChIInChI=1S/C23H17F6N5/c24-22(25,26)12-9-10-18-15(11-12)21(34-33-18)32-20-14-6-2-4-8-17(14)30-19(31-20)13-5-1-3-7-16(13)23(27,28)29/h1,3,5,7,9-11H,2,4,6,8H2,(H2,30,31,32,33,34)
InChIKeyYZQZZSVNPMSXGB-UHFFFAOYSA-N
MW477.41 g/mol
LogP6.68
Rot. Bonds3

About N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine

N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 10205869) has the molecular formula C23H17F6N5 and a molecular weight of 477.41 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID10205869
Molecular FormulaC23H17F6N5
Molecular Weight477.41 g/mol
Exact Mass477.14
IUPAC NameN-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESFC(F)(F)c1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCC4)c2c1
InChIInChI=1S/C23H17F6N5/c24-22(25,26)12-9-10-18-15(11-12)21(34-33-18)32-20-14-6-2-4-8-17(14)30-19(31-20)13-5-1-3-7-16(13)23(27,28)29/h1,3,5,7,9-11H,2,4,6,8H2,(H2,30,31,32,33,34)
InChIKeyYZQZZSVNPMSXGB-UHFFFAOYSA-N
XLogP6.68
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.41
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 10205869) is N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine is FC(F)(F)c1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCC4)c2c1.
What is the InChIKey of N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is YZQZZSVNPMSXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N5/c24-22(25,26)12-9-10-18-15(11-12)21(34-33-18)32-20-14-6-2-4-8-17(14)30-19(31-20)13-5-1-3-7-16(13)23(27,28)29/h1,3,5,7,9-11H,2,4,6,8H2,(H2,30,31,32,33,34).
What are the key properties of N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 477.41 g/mol, XLogP of 6.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 10205869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).