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

C17H22BrN3O3 — CID 169132481

IUPACmethyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate
SMILESCOC(=O)N(C)C1CCC(n2cc3cc(Br)c(OC)cc3n2)CC1
InChIInChI=1S/C17H22BrN3O3/c1-20(17(22)24-3)12-4-6-13(7-5-12)21-10-11-8-14(18)16(23-2)9-15(11)19-21/h8-10,12-13H,4-7H2,1-3H3
InChIKeyHUEPMIFLJZTLKG-UHFFFAOYSA-N
MW396.29 g/mol
LogP3.99
Rot. Bonds3

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

methyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate (PubChem CID 169132481) has the molecular formula C17H22BrN3O3 and a molecular weight of 396.29 g/mol. Its IUPAC name is methyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate
PubChem CID169132481
Molecular FormulaC17H22BrN3O3
Molecular Weight396.29 g/mol
Exact Mass395.08
IUPAC Namemethyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate
SMILESCOC(=O)N(C)C1CCC(n2cc3cc(Br)c(OC)cc3n2)CC1
InChIInChI=1S/C17H22BrN3O3/c1-20(17(22)24-3)12-4-6-13(7-5-12)21-10-11-8-14(18)16(23-2)9-15(11)19-21/h8-10,12-13H,4-7H2,1-3H3
InChIKeyHUEPMIFLJZTLKG-UHFFFAOYSA-N
XLogP3.99
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl] N-methylcarbamate
CID 175450354
3-(5-bromo-6-methoxyindazol-2-yl)azetidine-1-carboxylic acid
CID 170573068
[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate
CID 170227743
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
tert-butyl N-[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]-N-methylcarbamate
CID 170227634
tert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate
CID 164791971
4-(5-bromo-6-methoxyindazol-2-yl)-1,3-dimethylcyclohexan-1-ol
CID 167108653
2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxypropanoic acid
CID 155437454
2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide
CID 170227651
2-[4-[[(2S)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396505

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate?
The IUPAC name of methyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate (CID 169132481) is methyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate is COC(=O)N(C)C1CCC(n2cc3cc(Br)c(OC)cc3n2)CC1.
What is the InChIKey of methyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate?
The InChIKey is HUEPMIFLJZTLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O3/c1-20(17(22)24-3)12-4-6-13(7-5-12)21-10-11-8-14(18)16(23-2)9-15(11)19-21/h8-10,12-13H,4-7H2,1-3H3.
What are the key properties of methyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate?
methyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate has a molecular weight of 396.29 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 169132481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).