N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide

C13H17N3O2S — CID 106156100

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C13H17N3O2S/c1-8(12(7-17)19-2)15-13(18)9-3-4-10-6-14-16-11(10)5-9/h3-6,8,12,17H,7H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyHQALKDISJUVGLU-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.41
Rot. Bonds5

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide (PubChem CID 106156100) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide
PubChem CID106156100
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C13H17N3O2S/c1-8(12(7-17)19-2)15-13(18)9-3-4-10-6-14-16-11(10)5-9/h3-6,8,12,17H,7H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyHQALKDISJUVGLU-UHFFFAOYSA-N
XLogP1.41
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide
CID 55023710
(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 51888645
(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 80751119
N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide
CID 106352905
(2S)-2-(1H-indazole-6-carbonylamino)-4-methylpentanoic acid
CID 61154648
N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63010618
N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide
CID 65193937
N-(1-amino-4-methylpentan-2-yl)-1H-indazole-6-carboxamide
CID 63888929
3-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylbenzamide
CID 103957572
N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide
CID 79027801
2,6-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103801255
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 106161572

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide (CID 106156100) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide is CSC(CO)C(C)NC(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide?
The InChIKey is HQALKDISJUVGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8(12(7-17)19-2)15-13(18)9-3-4-10-6-14-16-11(10)5-9/h3-6,8,12,17H,7H2,1-2H3,(H,14,16)(H,15,18).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 106156100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).