4-methoxy-N-[2-[7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]indazol-1-yl]ethyl]benzamide

C20H19F3N4O2 — CID 44633985

IUPAC4-methoxy-N-[2-[7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]indazol-1-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN2CCn3nc4cc(C(F)(F)F)ccc4c32)cc1
InChIInChI=1S/C20H19F3N4O2/c1-29-15-5-2-13(3-6-15)18(28)24-8-9-26-10-11-27-19(26)16-7-4-14(20(21,22)23)12-17(16)25-27/h2-7,12H,8-11H2,1H3,(H,24,28)
InChIKeyVEOBZDALRXMRJP-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.31
Rot. Bonds5

About 4-methoxy-N-[2-[7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]indazol-1-yl]ethyl]benzamide

4-methoxy-N-[2-[7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]indazol-1-yl]ethyl]benzamide (PubChem CID 44633985) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 4-methoxy-N-[2-[7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]indazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]indazol-1-yl]ethyl]benzamide
PubChem CID44633985
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name4-methoxy-N-[2-[7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]indazol-1-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN2CCn3nc4cc(C(F)(F)F)ccc4c32)cc1
InChIInChI=1S/C20H19F3N4O2/c1-29-15-5-2-13(3-6-15)18(28)24-8-9-26-10-11-27-19(26)16-7-4-14(20(21,22)23)12-17(16)25-27/h2-7,12H,8-11H2,1H3,(H,24,28)
InChIKeyVEOBZDALRXMRJP-UHFFFAOYSA-N
XLogP3.31
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N-[2-[7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]indazol-1-yl]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 4-methoxy-N-[2-[7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]indazol-1-yl]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]indazol-1-yl]ethyl]benzamide (CID 44633985) is 4-methoxy-N-[2-[7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]indazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]indazol-1-yl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]indazol-1-yl]ethyl]benzamide is COc1ccc(C(=O)NCCN2CCn3nc4cc(C(F)(F)F)ccc4c32)cc1.
What is the InChIKey of 4-methoxy-N-[2-[7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]indazol-1-yl]ethyl]benzamide?
The InChIKey is VEOBZDALRXMRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-29-15-5-2-13(3-6-15)18(28)24-8-9-26-10-11-27-19(26)16-7-4-14(20(21,22)23)12-17(16)25-27/h2-7,12H,8-11H2,1H3,(H,24,28).
What are the key properties of 4-methoxy-N-[2-[7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]indazol-1-yl]ethyl]benzamide?
4-methoxy-N-[2-[7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]indazol-1-yl]ethyl]benzamide has a molecular weight of 404.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]indazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 44633985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).