4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide

C24H24N4O2 — CID 177377823

IUPAC4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cccc(N)c1
InChIInChI=1S/C24H24N4O2/c1-3-30-22-13-17(10-11-21(22)16-6-5-9-20(25)12-16)24(29)28(2)15-19-8-4-7-18-14-26-27-23(18)19/h4-14H,3,15,25H2,1-2H3,(H,26,27)
InChIKeyYOYBWHSRINFPLA-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.48
Rot. Bonds6

About 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide

4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide (PubChem CID 177377823) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
PubChem CID177377823
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cccc(N)c1
InChIInChI=1S/C24H24N4O2/c1-3-30-22-13-17(10-11-21(22)16-6-5-9-20(25)12-16)24(29)28(2)15-19-8-4-7-18-14-26-27-23(18)19/h4-14H,3,15,25H2,1-2H3,(H,26,27)
InChIKeyYOYBWHSRINFPLA-UHFFFAOYSA-N
XLogP4.48
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide 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

6,7-Dimethyl-1'-[(7-Methyl-1h-Indazol-5-Yl)carbonyl]spiro[chromene-2,4'-Piperidin]-4(3h)-One
CID 46884569
N-(1H-indazol-5-yl)-3-methoxybenzamide
CID 6465251
3-ethoxy-N-(1H-indazol-5-yl)benzamide
CID 6468066
1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[chroman-2,4'-piperidin]-4-one
CID 24957986
N-{[cis-4-(2-Phenoxyethyl)cyclohexyl]methyl}-1H-indazole-5-carboxamide
CID 44442113
6,7-dimethyl-1''-(3-methyl-1H-indazole-6-carbonyl)spiro[chroman-2,4''-piperidin]-4-one
CID 46884571
1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884620
1''-(1H-indazole-7-carbonyl)-7-methylspiro[chroman-2,4''-piperidin]-4-one
CID 46885251
1''-(1H-indazole-7-carbonyl)-6-methoxyspiro[chroman-2,4''-piperidin]-4-one
CID 46885252
2,2,2-trifluoro-1-[4-[7-(1H-indazol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]ethanone
CID 59604531
1-(4-{[7-(1-methyl-1H-indazol-6-yl)-2,3-dihydro-1,4-benzoxazepin-4 (5H)-yl]carbonyl}phenyl)ethanone
CID 59604658
1-(4-{[7-(1H-indazol-6-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]carbonyl}-phenyl)ethanone
CID 59605039

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The IUPAC name of 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide (CID 177377823) is 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide is CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cccc(N)c1.
What is the InChIKey of 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The InChIKey is YOYBWHSRINFPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-3-30-22-13-17(10-11-21(22)16-6-5-9-20(25)12-16)24(29)28(2)15-19-8-4-7-18-14-26-27-23(18)19/h4-14H,3,15,25H2,1-2H3,(H,26,27).
What are the key properties of 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide has a molecular weight of 400.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 177377823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).