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

C24H16F3N5 — CID 10274354

IUPACN-[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(-c2ccccc2)n1
InChIInChI=1S/C24H16F3N5/c25-24(26,27)18-12-6-4-10-16(18)22-28-20(15-8-2-1-3-9-15)14-21(29-22)30-23-17-11-5-7-13-19(17)31-32-23/h1-14H,(H2,28,29,30,31,32)
InChIKeyQNIMZIVZSJBGJE-UHFFFAOYSA-N
MW431.42 g/mol
LogP6.45
Rot. Bonds4

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

N-[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine (PubChem CID 10274354) has the molecular formula C24H16F3N5 and a molecular weight of 431.42 g/mol. Its IUPAC name is N-[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
PubChem CID10274354
Molecular FormulaC24H16F3N5
Molecular Weight431.42 g/mol
Exact Mass431.14
IUPAC NameN-[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(-c2ccccc2)n1
InChIInChI=1S/C24H16F3N5/c25-24(26,27)18-12-6-4-10-16(18)22-28-20(15-8-2-1-3-9-15)14-21(29-22)30-23-17-11-5-7-13-19(17)31-32-23/h1-14H,(H2,28,29,30,31,32)
InChIKeyQNIMZIVZSJBGJE-UHFFFAOYSA-N
XLogP6.45
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.42
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-phenyl-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

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
4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 821854
N-(2-naphthyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 24882111
6-(3-Amino-2h-Indazol-6-Yl)-N~4~-Ethylpyrimidine-2,4-Diamine
CID 46214652
2-(1,1-Difluoroethyl)-5-Methyl-N-[4-(Trifluoromethyl)phenyl][1,2,4]triazolo[1,5-A]pyrimidin-7-Amine
CID 51349276
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
8-fluoro-3-hydrazinyl-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole
CID 6401717
N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine
CID 138857395
5-Methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 684862
5-benzyl-8-fluoro-3-hydrazinyl-5H-[1,2,4]triazino[5,6-b]indole
CID 6401719

Frequently Asked Questions

What is the IUPAC name of N-[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
The IUPAC name of N-[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine (CID 10274354) is N-[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for N-[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for N-[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine is FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(-c2ccccc2)n1.
What is the InChIKey of N-[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
The InChIKey is QNIMZIVZSJBGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5/c25-24(26,27)18-12-6-4-10-16(18)22-28-20(15-8-2-1-3-9-15)14-21(29-22)30-23-17-11-5-7-13-19(17)31-32-23/h1-14H,(H2,28,29,30,31,32).
What are the key properties of N-[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
N-[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine has a molecular weight of 431.42 g/mol, XLogP of 6.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 10274354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).