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

C16H20BrN3O3 — CID 175450354

IUPAC[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl] N-methylcarbamate
SMILESCNC(=O)OC1CCC(n2cc3cc(Br)c(OC)cc3n2)CC1
InChIInChI=1S/C16H20BrN3O3/c1-18-16(21)23-12-5-3-11(4-6-12)20-9-10-7-13(17)15(22-2)8-14(10)19-20/h7-9,11-12H,3-6H2,1-2H3,(H,18,21)
InChIKeyRBOLZPNTGNPSCL-UHFFFAOYSA-N
MW382.26 g/mol
LogP3.65
Rot. Bonds3

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

[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl] N-methylcarbamate (PubChem CID 175450354) has the molecular formula C16H20BrN3O3 and a molecular weight of 382.26 g/mol. Its IUPAC name is [4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl] N-methylcarbamate
PubChem CID175450354
Molecular FormulaC16H20BrN3O3
Molecular Weight382.26 g/mol
Exact Mass381.07
IUPAC Name[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl] N-methylcarbamate
SMILESCNC(=O)OC1CCC(n2cc3cc(Br)c(OC)cc3n2)CC1
InChIInChI=1S/C16H20BrN3O3/c1-18-16(21)23-12-5-3-11(4-6-12)20-9-10-7-13(17)15(22-2)8-14(10)19-20/h7-9,11-12H,3-6H2,1-2H3,(H,18,21)
InChIKeyRBOLZPNTGNPSCL-UHFFFAOYSA-N
XLogP3.65
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl] N-methylcarbamate?
The IUPAC name of [4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl] N-methylcarbamate (CID 175450354) is [4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl] N-methylcarbamate.
What is the SMILES notation for [4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl] N-methylcarbamate?
The canonical SMILES for [4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl] N-methylcarbamate is CNC(=O)OC1CCC(n2cc3cc(Br)c(OC)cc3n2)CC1.
What is the InChIKey of [4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl] N-methylcarbamate?
The InChIKey is RBOLZPNTGNPSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3/c1-18-16(21)23-12-5-3-11(4-6-12)20-9-10-7-13(17)15(22-2)8-14(10)19-20/h7-9,11-12H,3-6H2,1-2H3,(H,18,21).
What are the key properties of [4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl] N-methylcarbamate?
[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl] N-methylcarbamate has a molecular weight of 382.26 g/mol, XLogP of 3.65, 3 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] N-methylcarbamate is sourced from PubChem (CID 175450354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).