2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazole-5-carboxamide

C16H21N3O3 — CID 175556077

IUPAC2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1C(N)=O
InChIInChI=1S/C16H21N3O3/c1-16(2,21)10-5-11(6-10)19-8-9-4-12(15(17)20)14(22-3)7-13(9)18-19/h4,7-8,10-11,21H,5-6H2,1-3H3,(H2,17,20)
InChIKeyRSPTWALORQAUHD-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.87
Rot. Bonds4

About 2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazole-5-carboxamide

2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazole-5-carboxamide (PubChem CID 175556077) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazole-5-carboxamide
PubChem CID175556077
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1C(N)=O
InChIInChI=1S/C16H21N3O3/c1-16(2,21)10-5-11(6-10)19-8-9-4-12(15(17)20)14(22-3)7-13(9)18-19/h4,7-8,10-11,21H,5-6H2,1-3H3,(H2,17,20)
InChIKeyRSPTWALORQAUHD-UHFFFAOYSA-N
XLogP1.87
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide
CID 154970389
dimagnesium;carbanide;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide);bis(methyl 3-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);dibromide
CID 164986879
2-[4-(4-imidazo[1,2-b]pyridazin-3-ylpiperazin-1-yl)cyclohexyl]-6-methoxyindazole-5-carboxamide
CID 176796840
methyl 2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxyindazole-5-carboxylate
CID 163396417
3-(5-bromo-6-methoxyindazol-2-yl)azetidine-1-carboxylic acid
CID 170573068
CID 165081912
CID 165081912
2-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-1H-pyridazine-3-carboxamide
CID 155437859
2-[3-(5-amino-6-methoxyindazol-2-yl)cyclobutyl]propan-2-ol;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;2-methylpyridine-4-carboxylic acid;oxolane
CID 164999505
tert-butyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate;methyl 6-methoxy-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]indazole-5-carboxylate
CID 175927197
1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide
CID 155438131
6-methoxy-2-[(1R,2R)-2-methyl-4-oxocyclohexyl]indazole-5-carboxylic acid
CID 163396282
6-methoxy-2-(4-methylcyclohexyl)indazol-5-amine
CID 170092685

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazole-5-carboxamide?
The IUPAC name of 2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazole-5-carboxamide (CID 175556077) is 2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazole-5-carboxamide.
What is the SMILES notation for 2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazole-5-carboxamide?
The canonical SMILES for 2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazole-5-carboxamide is COc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1C(N)=O.
What is the InChIKey of 2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazole-5-carboxamide?
The InChIKey is RSPTWALORQAUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-16(2,21)10-5-11(6-10)19-8-9-4-12(15(17)20)14(22-3)7-13(9)18-19/h4,7-8,10-11,21H,5-6H2,1-3H3,(H2,17,20).
What are the key properties of 2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazole-5-carboxamide?
2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazole-5-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazole-5-carboxamide is sourced from PubChem (CID 175556077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).