[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate

C17H22BrN3O3 — CID 170227743

IUPAC[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate
SMILESCNC(=O)OCC1CCC(n2cc3cc(Br)c(OC)cc3n2)CC1
InChIInChI=1S/C17H22BrN3O3/c1-19-17(22)24-10-11-3-5-13(6-4-11)21-9-12-7-14(18)16(23-2)8-15(12)20-21/h7-9,11,13H,3-6,10H2,1-2H3,(H,19,22)
InChIKeyDVGHXXMOJCHHNM-UHFFFAOYSA-N
MW396.29 g/mol
LogP3.89
Rot. Bonds4

About [4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate

[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate (PubChem CID 170227743) has the molecular formula C17H22BrN3O3 and a molecular weight of 396.29 g/mol. Its IUPAC name is [4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate
PubChem CID170227743
Molecular FormulaC17H22BrN3O3
Molecular Weight396.29 g/mol
Exact Mass395.08
IUPAC Name[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate
SMILESCNC(=O)OCC1CCC(n2cc3cc(Br)c(OC)cc3n2)CC1
InChIInChI=1S/C17H22BrN3O3/c1-19-17(22)24-10-11-3-5-13(6-4-11)21-9-12-7-14(18)16(23-2)8-15(12)20-21/h7-9,11,13H,3-6,10H2,1-2H3,(H,19,22)
InChIKeyDVGHXXMOJCHHNM-UHFFFAOYSA-N
XLogP3.89
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl] N-methylcarbamate
CID 175450354
methyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate
CID 169132481
[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]methyl N-methylcarbamate
CID 169132492
3-(5-bromo-6-methoxyindazol-2-yl)azetidine-1-carboxylic acid
CID 170573068
5-bromo-6-methoxy-2-piperidin-4-ylindazole
CID 170334625
(1S,2R,4S)-4-(5-bromo-6-methoxyindazol-2-yl)-2-methylcyclohexan-1-ol
CID 163396628
[4-(5-amino-6-methoxyindazol-2-yl)cyclohexyl]methanol
CID 155437469
2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxypropanoic acid
CID 155437454
[4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol
CID 155438039
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
[4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol
CID 162721663
6-methoxy-2-(4-methylcyclohexyl)indazol-5-amine
CID 170092685

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate?
The IUPAC name of [4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate (CID 170227743) is [4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate.
What is the SMILES notation for [4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate?
The canonical SMILES for [4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate is CNC(=O)OCC1CCC(n2cc3cc(Br)c(OC)cc3n2)CC1.
What is the InChIKey of [4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate?
The InChIKey is DVGHXXMOJCHHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O3/c1-19-17(22)24-10-11-3-5-13(6-4-11)21-9-12-7-14(18)16(23-2)8-15(12)20-21/h7-9,11,13H,3-6,10H2,1-2H3,(H,19,22).
What are the key properties of [4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate?
[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate has a molecular weight of 396.29 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate is sourced from PubChem (CID 170227743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).