N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine

C23H20F4N6 — CID 10139176

IUPACN-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine
SMILESFc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc(C4CCCCC4)n3)c2c1
InChIInChI=1S/C23H20F4N6/c24-14-10-11-18-16(12-14)21(33-32-18)31-22-29-19(13-6-2-1-3-7-13)28-20(30-22)15-8-4-5-9-17(15)23(25,26)27/h4-5,8-13H,1-3,6-7H2,(H2,28,29,30,31,32,33)
InChIKeyKXFOCBLHLQXEMU-UHFFFAOYSA-N
MW456.45 g/mol
LogP6.36
Rot. Bonds4

About N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine

N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine (PubChem CID 10139176) has the molecular formula C23H20F4N6 and a molecular weight of 456.45 g/mol. Its IUPAC name is N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine
PubChem CID10139176
Molecular FormulaC23H20F4N6
Molecular Weight456.45 g/mol
Exact Mass456.17
IUPAC NameN-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine
SMILESFc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc(C4CCCCC4)n3)c2c1
InChIInChI=1S/C23H20F4N6/c24-14-10-11-18-16(12-14)21(33-32-18)31-22-29-19(13-6-2-1-3-7-13)28-20(30-22)15-8-4-5-9-17(15)23(25,26)27/h4-5,8-13H,1-3,6-7H2,(H2,28,29,30,31,32,33)
InChIKeyKXFOCBLHLQXEMU-UHFFFAOYSA-N
XLogP6.36
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.45
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine?
The IUPAC name of N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine (CID 10139176) is N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine.
What is the SMILES notation for N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine?
The canonical SMILES for N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine is Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc(C4CCCCC4)n3)c2c1.
What is the InChIKey of N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine?
The InChIKey is KXFOCBLHLQXEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N6/c24-14-10-11-18-16(12-14)21(33-32-18)31-22-29-19(13-6-2-1-3-7-13)28-20(30-22)15-8-4-5-9-17(15)23(25,26)27/h4-5,8-13H,1-3,6-7H2,(H2,28,29,30,31,32,33).
What are the key properties of N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine?
N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine has a molecular weight of 456.45 g/mol, XLogP of 6.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine is sourced from PubChem (CID 10139176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).