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

C22H21N3O3S — CID 23589756

IUPAC3-(1-benzothiophen-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCC2CCCO2)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C22H21N3O3S/c1-27-21-15(22(26)23-12-14-6-4-10-28-14)8-9-16-19(21)20(25-24-16)18-11-13-5-2-3-7-17(13)29-18/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyRUYWJUPLLNBQBX-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.36
Rot. Bonds5

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

3-(1-benzothiophen-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 23589756) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID23589756
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name3-(1-benzothiophen-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCC2CCCO2)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C22H21N3O3S/c1-27-21-15(22(26)23-12-14-6-4-10-28-14)8-9-16-19(21)20(25-24-16)18-11-13-5-2-3-7-17(13)29-18/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyRUYWJUPLLNBQBX-UHFFFAOYSA-N
XLogP4.36
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
N-[cyclobutyl(thiophen-3-yl)methyl]-3-[4-[[(1S,5R)-8-formyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide
CID 117737852
N-[1-(3-methoxyphenyl)ethyl]-4-methyl-5-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide
CID 49830589
N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 45190625
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
3-(1-benzothiophen-2-yl)-6-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 23589759

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide (CID 23589756) is 3-(1-benzothiophen-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide is COc1c(C(=O)NCC2CCCO2)ccc2[nH]nc(-c3cc4ccccc4s3)c12.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is RUYWJUPLLNBQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-27-21-15(22(26)23-12-14-6-4-10-28-14)8-9-16-19(21)20(25-24-16)18-11-13-5-2-3-7-17(13)29-18/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-(1-benzothiophen-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide?
3-(1-benzothiophen-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 4.36, 5 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)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).