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

C23H13F5N6 — CID 6539421

IUPACN-(3,4-difluorophenyl)-4-[2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(-c3c(-c4cccc(C(F)(F)F)c4)nn4ncccc34)n2)cc1F
InChIInChI=1S/C23H13F5N6/c24-16-7-6-15(12-17(16)25)31-22-29-10-8-18(32-22)20-19-5-2-9-30-34(19)33-21(20)13-3-1-4-14(11-13)23(26,27)28/h1-12H,(H,29,31,32)
InChIKeyQZNMZJGBBMCTDE-UHFFFAOYSA-N
MW468.39 g/mol
LogP5.89
Rot. Bonds4

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

N-(3,4-difluorophenyl)-4-[2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine (PubChem CID 6539421) has the molecular formula C23H13F5N6 and a molecular weight of 468.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-[2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-[2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
PubChem CID6539421
Molecular FormulaC23H13F5N6
Molecular Weight468.39 g/mol
Exact Mass468.11
IUPAC NameN-(3,4-difluorophenyl)-4-[2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(-c3c(-c4cccc(C(F)(F)F)c4)nn4ncccc34)n2)cc1F
InChIInChI=1S/C23H13F5N6/c24-16-7-6-15(12-17(16)25)31-22-29-10-8-18(32-22)20-19-5-2-9-30-34(19)33-21(20)13-3-1-4-14(11-13)23(26,27)28/h1-12H,(H,29,31,32)
InChIKeyQZNMZJGBBMCTDE-UHFFFAOYSA-N
XLogP5.89
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.39
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-difluorophenyl)-4-[2-[3-(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-(3,4-difluorophenyl)-4-[2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-(3,4-difluorophenyl)-4-[2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine (CID 6539421) is N-(3,4-difluorophenyl)-4-[2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-[2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-4-[2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine is Fc1ccc(Nc2nccc(-c3c(-c4cccc(C(F)(F)F)c4)nn4ncccc34)n2)cc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-4-[2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
The InChIKey is QZNMZJGBBMCTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F5N6/c24-16-7-6-15(12-17(16)25)31-22-29-10-8-18(32-22)20-19-5-2-9-30-34(19)33-21(20)13-3-1-4-14(11-13)23(26,27)28/h1-12H,(H,29,31,32).
What are the key properties of N-(3,4-difluorophenyl)-4-[2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
N-(3,4-difluorophenyl)-4-[2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine has a molecular weight of 468.39 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-[2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 6539421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).