4-(5-bromo-6-methoxyindazol-2-yl)-1,3-dimethylcyclohexan-1-ol

C16H21BrN2O2 — CID 167108653

IUPAC4-(5-bromo-6-methoxyindazol-2-yl)-1,3-dimethylcyclohexan-1-ol
SMILESCOc1cc2nn(C3CCC(C)(O)CC3C)cc2cc1Br
InChIInChI=1S/C16H21BrN2O2/c1-10-8-16(2,20)5-4-14(10)19-9-11-6-12(17)15(21-3)7-13(11)18-19/h6-7,9-10,14,20H,4-5,8H2,1-3H3
InChIKeyINWKNAPTDWMIRD-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.92
Rot. Bonds2

About 4-(5-bromo-6-methoxyindazol-2-yl)-1,3-dimethylcyclohexan-1-ol

4-(5-bromo-6-methoxyindazol-2-yl)-1,3-dimethylcyclohexan-1-ol (PubChem CID 167108653) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 4-(5-bromo-6-methoxyindazol-2-yl)-1,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(5-bromo-6-methoxyindazol-2-yl)-1,3-dimethylcyclohexan-1-ol
PubChem CID167108653
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name4-(5-bromo-6-methoxyindazol-2-yl)-1,3-dimethylcyclohexan-1-ol
SMILESCOc1cc2nn(C3CCC(C)(O)CC3C)cc2cc1Br
InChIInChI=1S/C16H21BrN2O2/c1-10-8-16(2,20)5-4-14(10)19-9-11-6-12(17)15(21-3)7-13(11)18-19/h6-7,9-10,14,20H,4-5,8H2,1-3H3
InChIKeyINWKNAPTDWMIRD-UHFFFAOYSA-N
XLogP3.92
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-methoxy-2-[(7S,8S)-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]indazole
CID 163396515
(5R,7R,8R)-8-(5-bromo-6-methoxyindazol-2-yl)-1,7-dimethyl-1-azaspiro[4.5]decan-2-one
CID 163396298
(1S,2R,4S)-4-(5-bromo-6-methoxyindazol-2-yl)-2-methylcyclohexan-1-ol
CID 163396628
5-bromo-6-methoxy-2-piperidin-4-ylindazole
CID 170334625
5-bromo-2-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-6-methoxyindazole
CID 170334877
3-(5-bromo-6-methoxyindazol-2-yl)azetidine-1-carboxylic acid
CID 170573068
methyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate
CID 169132481
methyl 2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxyindazole-5-carboxylate
CID 163396417
tert-butyl (3S,4S)-4-(5-bromo-6-methoxyindazol-2-yl)-2-tert-butyl-3-fluoropiperidine-1-carboxylate
CID 170557176
(3S,4S)-4-(5-bromo-6-methoxyindazol-2-yl)-2-tert-butyl-3-fluoropiperidine-1-carboxylic acid
CID 170557167
(3S,4R)-4-(5-bromo-6-methoxyindazol-2-yl)-2-tert-butyl-3-fluoropiperidine-1-carboxylic acid
CID 170557182
6-methoxy-2-[(1R,2R)-2-methyl-4-oxocyclohexyl]indazole-5-carboxylic acid
CID 163396282

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-6-methoxyindazol-2-yl)-1,3-dimethylcyclohexan-1-ol?
The IUPAC name of 4-(5-bromo-6-methoxyindazol-2-yl)-1,3-dimethylcyclohexan-1-ol (CID 167108653) is 4-(5-bromo-6-methoxyindazol-2-yl)-1,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 4-(5-bromo-6-methoxyindazol-2-yl)-1,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 4-(5-bromo-6-methoxyindazol-2-yl)-1,3-dimethylcyclohexan-1-ol is COc1cc2nn(C3CCC(C)(O)CC3C)cc2cc1Br.
What is the InChIKey of 4-(5-bromo-6-methoxyindazol-2-yl)-1,3-dimethylcyclohexan-1-ol?
The InChIKey is INWKNAPTDWMIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-10-8-16(2,20)5-4-14(10)19-9-11-6-12(17)15(21-3)7-13(11)18-19/h6-7,9-10,14,20H,4-5,8H2,1-3H3.
What are the key properties of 4-(5-bromo-6-methoxyindazol-2-yl)-1,3-dimethylcyclohexan-1-ol?
4-(5-bromo-6-methoxyindazol-2-yl)-1,3-dimethylcyclohexan-1-ol has a molecular weight of 353.26 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-6-methoxyindazol-2-yl)-1,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 167108653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).