N-phenyl-4-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine

C23H15F3N6 — CID 6539415

IUPACN-phenyl-4-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C23H15F3N6/c24-23(25,26)16-10-8-15(9-11-16)21-20(19-7-4-13-28-32(19)31-21)18-12-14-27-22(30-18)29-17-5-2-1-3-6-17/h1-14H,(H,27,29,30)
InChIKeyDNLDFDFYEYJYCL-UHFFFAOYSA-N
MW432.41 g/mol
LogP5.62
Rot. Bonds4

About N-phenyl-4-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine

N-phenyl-4-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine (PubChem CID 6539415) has the molecular formula C23H15F3N6 and a molecular weight of 432.41 g/mol. Its IUPAC name is N-phenyl-4-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-phenyl-4-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
PubChem CID6539415
Molecular FormulaC23H15F3N6
Molecular Weight432.41 g/mol
Exact Mass432.13
IUPAC NameN-phenyl-4-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C23H15F3N6/c24-23(25,26)16-10-8-15(9-11-16)21-20(19-7-4-13-28-32(19)31-21)18-12-14-27-22(30-18)29-17-5-2-1-3-6-17/h1-14H,(H,27,29,30)
InChIKeyDNLDFDFYEYJYCL-UHFFFAOYSA-N
XLogP5.62
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.41
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-phenyl-4-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-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-phenyl-4-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-phenyl-4-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine (CID 6539415) is N-phenyl-4-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-phenyl-4-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-phenyl-4-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine is FC(F)(F)c1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)cc1.
What is the InChIKey of N-phenyl-4-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
The InChIKey is DNLDFDFYEYJYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N6/c24-23(25,26)16-10-8-15(9-11-16)21-20(19-7-4-13-28-32(19)31-21)18-12-14-27-22(30-18)29-17-5-2-1-3-6-17/h1-14H,(H,27,29,30).
What are the key properties of N-phenyl-4-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
N-phenyl-4-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine has a molecular weight of 432.41 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 6539415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).