3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]benzamide

C24H17F6N5O3 — CID 155090221

IUPAC3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]benzamide
SMILESCC(=O)Nc1cn2nc(-c3ccc(F)c(C(=O)N[C@@H](C)c4cc(OC(F)(F)F)ccc4F)c3F)ccc2n1
InChIInChI=1S/C24H17F6N5O3/c1-11(15-9-13(3-5-16(15)25)38-24(28,29)30)31-23(37)21-17(26)6-4-14(22(21)27)18-7-8-20-33-19(32-12(2)36)10-35(20)34-18/h3-11H,1-2H3,(H,31,37)(H,32,36)/t11-/m0/s1
InChIKeyMVKSEQIEJWREAL-NSHDSACASA-N
MW537.42 g/mol
LogP5.16
Rot. Bonds6

About 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]benzamide

3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]benzamide (PubChem CID 155090221) has the molecular formula C24H17F6N5O3 and a molecular weight of 537.42 g/mol. Its IUPAC name is 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]benzamide
PubChem CID155090221
Molecular FormulaC24H17F6N5O3
Molecular Weight537.42 g/mol
Exact Mass537.12
IUPAC Name3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]benzamide
SMILESCC(=O)Nc1cn2nc(-c3ccc(F)c(C(=O)N[C@@H](C)c4cc(OC(F)(F)F)ccc4F)c3F)ccc2n1
InChIInChI=1S/C24H17F6N5O3/c1-11(15-9-13(3-5-16(15)25)38-24(28,29)30)31-23(37)21-17(26)6-4-14(22(21)27)18-7-8-20-33-19(32-12(2)36)10-35(20)34-18/h3-11H,1-2H3,(H,31,37)(H,32,36)/t11-/m0/s1
InChIKeyMVKSEQIEJWREAL-NSHDSACASA-N
XLogP5.16
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.42
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]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 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]benzamide (CID 155090221) is 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]benzamide is CC(=O)Nc1cn2nc(-c3ccc(F)c(C(=O)N[C@@H](C)c4cc(OC(F)(F)F)ccc4F)c3F)ccc2n1.
What is the InChIKey of 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]benzamide?
The InChIKey is MVKSEQIEJWREAL-NSHDSACASA-N. The full InChI is InChI=1S/C24H17F6N5O3/c1-11(15-9-13(3-5-16(15)25)38-24(28,29)30)31-23(37)21-17(26)6-4-14(22(21)27)18-7-8-20-33-19(32-12(2)36)10-35(20)34-18/h3-11H,1-2H3,(H,31,37)(H,32,36)/t11-/m0/s1.
What are the key properties of 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]benzamide?
3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]benzamide has a molecular weight of 537.42 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 155090221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).