3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide

C28H29FN4O2 — CID 177350304

IUPAC3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide
SMILESCCOc1cc(C(=O)N(Cc2cccc3cn[nH]c23)C2CC(NC)C2)ccc1-c1cccc(F)c1
InChIInChI=1S/C28H29FN4O2/c1-3-35-26-13-19(10-11-25(26)18-6-5-9-22(29)12-18)28(34)33(24-14-23(15-24)30-2)17-21-8-4-7-20-16-31-32-27(20)21/h4-13,16,23-24,30H,3,14-15,17H2,1-2H3,(H,31,32)
InChIKeyAFAZYLJGNVUVGO-UHFFFAOYSA-N
MW472.56 g/mol
LogP5.16
Rot. Bonds8

About 3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide

3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide (PubChem CID 177350304) has the molecular formula C28H29FN4O2 and a molecular weight of 472.56 g/mol. Its IUPAC name is 3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide
PubChem CID177350304
Molecular FormulaC28H29FN4O2
Molecular Weight472.56 g/mol
Exact Mass472.23
IUPAC Name3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide
SMILESCCOc1cc(C(=O)N(Cc2cccc3cn[nH]c23)C2CC(NC)C2)ccc1-c1cccc(F)c1
InChIInChI=1S/C28H29FN4O2/c1-3-35-26-13-19(10-11-25(26)18-6-5-9-22(29)12-18)28(34)33(24-14-23(15-24)30-2)17-21-8-4-7-20-16-31-32-27(20)21/h4-13,16,23-24,30H,3,14-15,17H2,1-2H3,(H,31,32)
InChIKeyAFAZYLJGNVUVGO-UHFFFAOYSA-N
XLogP5.16
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.56
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,2R)-2-aminocyclobutyl]-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
CID 177287059
3-ethoxy-4-(3-fluorophenyl)-N-[(1S)-1-(1H-indazol-7-yl)ethyl]-N-methylbenzamide
CID 170020764
3-ethoxy-4-(3-fluorophenyl)-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methylbenzamide
CID 170020763
3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385394
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide
CID 165385435
3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide
CID 171106955
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide
CID 165385189
N-(2-aminoethyl)-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
CID 177286902
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide
CID 165385355
(3R)-3-[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]-3-(1H-indazol-7-yl)-N,N-dimethylpropan-1-amine oxide
CID 177350230
3-ethoxy-4-(4-ethynylphenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385424
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(4-prop-1-ynylphenyl)benzamide
CID 165385234

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide?
The IUPAC name of 3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide (CID 177350304) is 3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide.
What is the SMILES notation for 3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide?
The canonical SMILES for 3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide is CCOc1cc(C(=O)N(Cc2cccc3cn[nH]c23)C2CC(NC)C2)ccc1-c1cccc(F)c1.
What is the InChIKey of 3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide?
The InChIKey is AFAZYLJGNVUVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O2/c1-3-35-26-13-19(10-11-25(26)18-6-5-9-22(29)12-18)28(34)33(24-14-23(15-24)30-2)17-21-8-4-7-20-16-31-32-27(20)21/h4-13,16,23-24,30H,3,14-15,17H2,1-2H3,(H,31,32).
What are the key properties of 3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide?
3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide has a molecular weight of 472.56 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide is sourced from PubChem (CID 177350304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).