N-[6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine

C24H15ClF3N5 — CID 10139821

IUPACN-[6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(-c2ccccc2Cl)n1
InChIInChI=1S/C24H15ClF3N5/c25-18-11-5-2-8-15(18)20-13-21(31-23-16-9-3-6-12-19(16)32-33-23)30-22(29-20)14-7-1-4-10-17(14)24(26,27)28/h1-13H,(H2,29,30,31,32,33)
InChIKeyRHJFUGLBGWBFRB-UHFFFAOYSA-N
MW465.87 g/mol
LogP7.10
Rot. Bonds4

About N-[6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine

N-[6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine (PubChem CID 10139821) has the molecular formula C24H15ClF3N5 and a molecular weight of 465.87 g/mol. Its IUPAC name is N-[6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
PubChem CID10139821
Molecular FormulaC24H15ClF3N5
Molecular Weight465.87 g/mol
Exact Mass465.10
IUPAC NameN-[6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(-c2ccccc2Cl)n1
InChIInChI=1S/C24H15ClF3N5/c25-18-11-5-2-8-15(18)20-13-21(31-23-16-9-3-6-12-19(16)32-33-23)30-22(29-20)14-7-1-4-10-17(14)24(26,27)28/h1-13H,(H2,29,30,31,32,33)
InChIKeyRHJFUGLBGWBFRB-UHFFFAOYSA-N
XLogP7.10
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.87
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-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-[6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
The IUPAC name of N-[6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine (CID 10139821) is N-[6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for N-[6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for N-[6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine is FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(-c2ccccc2Cl)n1.
What is the InChIKey of N-[6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
The InChIKey is RHJFUGLBGWBFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClF3N5/c25-18-11-5-2-8-15(18)20-13-21(31-23-16-9-3-6-12-19(16)32-33-23)30-22(29-20)14-7-1-4-10-17(14)24(26,27)28/h1-13H,(H2,29,30,31,32,33).
What are the key properties of N-[6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
N-[6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine has a molecular weight of 465.87 g/mol, XLogP of 7.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 10139821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).