3-(1-benzothiophen-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1H-indazole-5-carboxamide

C22H23N3O3S — CID 23589769

IUPAC3-(1-benzothiophen-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NC(CO)C(C)C
InChIInChI=1S/C22H23N3O3S/c1-12(2)17(11-26)23-22(27)15-9-14-16(10-18(15)28-3)24-25-21(14)20-8-13-6-4-5-7-19(13)29-20/h4-10,12,17,26H,11H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyCZWJCTSZZIQDOQ-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.20
Rot. Bonds6

About 3-(1-benzothiophen-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1H-indazole-5-carboxamide

3-(1-benzothiophen-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1H-indazole-5-carboxamide (PubChem CID 23589769) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1H-indazole-5-carboxamide
PubChem CID23589769
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name3-(1-benzothiophen-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NC(CO)C(C)C
InChIInChI=1S/C22H23N3O3S/c1-12(2)17(11-26)23-22(27)15-9-14-16(10-18(15)28-3)24-25-21(14)20-8-13-6-4-5-7-19(13)29-20/h4-10,12,17,26H,11H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyCZWJCTSZZIQDOQ-UHFFFAOYSA-N
XLogP4.20
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.20
H-Bond Donors ≤ 53
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
6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630304
3-benzyl-6-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-indazole-5-carboxamide
CID 137630347
N-[1-(3-methoxyphenyl)ethyl]-4-methyl-5-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide
CID 49830589
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
N-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide
CID 23589968
3-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide
CID 57584833
3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide
CID 58582175
3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
CID 58582199
3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
CID 59796948
3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797018

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1H-indazole-5-carboxamide (CID 23589769) is 3-(1-benzothiophen-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1H-indazole-5-carboxamide is COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NC(CO)C(C)C.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1H-indazole-5-carboxamide?
The InChIKey is CZWJCTSZZIQDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-12(2)17(11-26)23-22(27)15-9-14-16(10-18(15)28-3)24-25-21(14)20-8-13-6-4-5-7-19(13)29-20/h4-10,12,17,26H,11H2,1-3H3,(H,23,27)(H,24,25).
What are the key properties of 3-(1-benzothiophen-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1H-indazole-5-carboxamide?
3-(1-benzothiophen-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1H-indazole-5-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).