3-(1-benzofuran-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide

C22H23N3O4 — CID 135617759

IUPAC3-(1-benzofuran-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(CO)C(C)C)ccc2n[nH]c(-c3cc4ccccc4o3)c12
InChIInChI=1S/C22H23N3O4/c1-12(2)16(11-26)23-22(27)14-8-9-15-19(21(14)28-3)20(25-24-15)18-10-13-6-4-5-7-17(13)29-18/h4-10,12,16,26H,11H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyFFCXUFWBPWYNMO-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.73
Rot. Bonds6

About 3-(1-benzofuran-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide

3-(1-benzofuran-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide (PubChem CID 135617759) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide
PubChem CID135617759
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name3-(1-benzofuran-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(CO)C(C)C)ccc2n[nH]c(-c3cc4ccccc4o3)c12
InChIInChI=1S/C22H23N3O4/c1-12(2)16(11-26)23-22(27)14-8-9-15-19(21(14)28-3)20(25-24-15)18-10-13-6-4-5-7-17(13)29-18/h4-10,12,16,26H,11H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyFFCXUFWBPWYNMO-UHFFFAOYSA-N
XLogP3.73
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-1-oxopropan-2-yl)-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide
CID 135617758
3-(1-benzofuran-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide
CID 135617763
N-(1-hydroxy-3-methylbutan-2-yl)-2-oxochromene-3-carboxamide
CID 79255030
N-(cyclopropylmethyl)-4-methoxy-3-naphthalen-2-yl-2H-indazole-5-carboxamide
CID 135617793
3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 23589731
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797305
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide
CID 135987909
3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 159265239
3-[(E)-2-(4-aminophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide
CID 135987956
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 3475258
N-(2-acetamidoethyl)-3-(3-fluorophenyl)-4-methoxy-2H-indazole-5-carboxamide;N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
CID 158218052
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide (CID 135617759) is 3-(1-benzofuran-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide is COc1c(C(=O)NC(CO)C(C)C)ccc2n[nH]c(-c3cc4ccccc4o3)c12.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide?
The InChIKey is FFCXUFWBPWYNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-12(2)16(11-26)23-22(27)14-8-9-15-19(21(14)28-3)20(25-24-15)18-10-13-6-4-5-7-17(13)29-18/h4-10,12,16,26H,11H2,1-3H3,(H,23,27)(H,24,25).
What are the key properties of 3-(1-benzofuran-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide?
3-(1-benzofuran-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide is sourced from PubChem (CID 135617759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).