N-[3-[2-[[2-(methylamino)pyrimidin-4-yl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide

C25H19F3N8O2 — CID 24767982

IUPACN-[3-[2-[[2-(methylamino)pyrimidin-4-yl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCNc1nccc(Nc2cn3nc(Oc4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccc3n2)n1
InChIInChI=1S/C25H19F3N8O2/c1-29-24-30-11-10-19(34-24)32-20-14-36-21(33-20)8-9-22(35-36)38-18-7-3-6-17(13-18)31-23(37)15-4-2-5-16(12-15)25(26,27)28/h2-14H,1H3,(H,31,37)(H2,29,30,32,34)
InChIKeyZAGHBUSLAWVJEZ-UHFFFAOYSA-N
MW520.48 g/mol
LogP5.37
Rot. Bonds7

About N-[3-[2-[[2-(methylamino)pyrimidin-4-yl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide

N-[3-[2-[[2-(methylamino)pyrimidin-4-yl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 24767982) has the molecular formula C25H19F3N8O2 and a molecular weight of 520.48 g/mol. Its IUPAC name is N-[3-[2-[[2-(methylamino)pyrimidin-4-yl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[2-[[2-(methylamino)pyrimidin-4-yl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
PubChem CID24767982
Molecular FormulaC25H19F3N8O2
Molecular Weight520.48 g/mol
Exact Mass520.16
IUPAC NameN-[3-[2-[[2-(methylamino)pyrimidin-4-yl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCNc1nccc(Nc2cn3nc(Oc4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccc3n2)n1
InChIInChI=1S/C25H19F3N8O2/c1-29-24-30-11-10-19(34-24)32-20-14-36-21(33-20)8-9-22(35-36)38-18-7-3-6-17(13-18)31-23(37)15-4-2-5-16(12-15)25(26,27)28/h2-14H,1H3,(H,31,37)(H2,29,30,32,34)
InChIKeyZAGHBUSLAWVJEZ-UHFFFAOYSA-N
XLogP5.37
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.48
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[3-[2-[[2-(methylamino)pyrimidin-4-yl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide 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-[2-[[2-(methylamino)pyrimidin-4-yl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[2-[[2-(methylamino)pyrimidin-4-yl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide (CID 24767982) is N-[3-[2-[[2-(methylamino)pyrimidin-4-yl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[2-[[2-(methylamino)pyrimidin-4-yl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[2-[[2-(methylamino)pyrimidin-4-yl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide is CNc1nccc(Nc2cn3nc(Oc4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccc3n2)n1.
What is the InChIKey of N-[3-[2-[[2-(methylamino)pyrimidin-4-yl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ZAGHBUSLAWVJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N8O2/c1-29-24-30-11-10-19(34-24)32-20-14-36-21(33-20)8-9-22(35-36)38-18-7-3-6-17(13-18)31-23(37)15-4-2-5-16(12-15)25(26,27)28/h2-14H,1H3,(H,31,37)(H2,29,30,32,34).
What are the key properties of N-[3-[2-[[2-(methylamino)pyrimidin-4-yl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
N-[3-[2-[[2-(methylamino)pyrimidin-4-yl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 520.48 g/mol, XLogP of 5.37, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[2-(methylamino)pyrimidin-4-yl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 24767982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).