3-(1-benzothiophen-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide

C21H21N3O3S — CID 23589770

IUPAC3-(1-benzothiophen-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCCOCCNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1OC
InChIInChI=1S/C21H21N3O3S/c1-3-27-11-10-22-21(25)14-8-9-15-18(20(14)26-2)19(24-23-15)17-12-13-6-4-5-7-16(13)28-17/h4-9,12H,3,10-11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyRBBIDWNJHJGYJQ-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.22
Rot. Bonds7

About 3-(1-benzothiophen-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide

3-(1-benzothiophen-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 23589770) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide
PubChem CID23589770
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name3-(1-benzothiophen-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCCOCCNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1OC
InChIInChI=1S/C21H21N3O3S/c1-3-27-11-10-22-21(25)14-8-9-15-18(20(14)26-2)19(24-23-15)17-12-13-6-4-5-7-16(13)28-17/h4-9,12H,3,10-11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyRBBIDWNJHJGYJQ-UHFFFAOYSA-N
XLogP4.22
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclopentyl(thiophen-3-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
CID 89971805
[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 42362129
N-[1-(3-methoxyphenyl)ethyl]-4-methyl-5-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide
CID 49830589
3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide
CID 20789076
N-benzyl-6-methoxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630335
N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-3-methoxybenzamide
CID 22260651
N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide
CID 22260762
3-(3-fluorophenyl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide
CID 23589678
3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 23589703
3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide
CID 23589705
3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 23589715
3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 23589745

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide (CID 23589770) is 3-(1-benzothiophen-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide is CCOCCNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1OC.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide?
The InChIKey is RBBIDWNJHJGYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-3-27-11-10-22-21(25)14-8-9-15-18(20(14)26-2)19(24-23-15)17-12-13-6-4-5-7-16(13)28-17/h4-9,12H,3,10-11H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-(1-benzothiophen-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide?
3-(1-benzothiophen-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).