3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide

C21H20N4O2S — CID 165385443

IUPAC3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cncs1
InChIInChI=1S/C21H20N4O2S/c1-3-27-18-9-14(7-8-17(18)19-11-22-13-28-19)21(26)25(2)12-16-6-4-5-15-10-23-24-20(15)16/h4-11,13H,3,12H2,1-2H3,(H,23,24)
InChIKeyUCEDSNAULGBGTN-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.36
Rot. Bonds6

About 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide

3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide (PubChem CID 165385443) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide
PubChem CID165385443
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cncs1
InChIInChI=1S/C21H20N4O2S/c1-3-27-18-9-14(7-8-17(18)19-11-22-13-28-19)21(26)25(2)12-16-6-4-5-15-10-23-24-20(15)16/h4-11,13H,3,12H2,1-2H3,(H,23,24)
InChIKeyUCEDSNAULGBGTN-UHFFFAOYSA-N
XLogP4.36
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(4-prop-1-ynylphenyl)benzamide
CID 165385234
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide
CID 165385189
3-ethoxy-4-(4-ethynylphenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385424
3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-thiophen-2-ylbenzamide
CID 165385029
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 165385158
5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide
CID 165385275
2-fluoro-5-[4-[1H-indazol-7-ylmethyl(methyl)carbamoyl]-2-propoxyphenyl]-N-methylbenzamide
CID 165385378
N-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide
CID 165385295
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
6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide
CID 165385357

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide?
The IUPAC name of 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide (CID 165385443) is 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide is CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cncs1.
What is the InChIKey of 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide?
The InChIKey is UCEDSNAULGBGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-3-27-18-9-14(7-8-17(18)19-11-22-13-28-19)21(26)25(2)12-16-6-4-5-15-10-23-24-20(15)16/h4-11,13H,3,12H2,1-2H3,(H,23,24).
What are the key properties of 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide?
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide has a molecular weight of 392.48 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 165385443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).