5-bromo-2-cyclobutyl-3-[[2-(2-ethoxyethyl)-4-methylphenoxy]methyl]indazole

C23H27BrN2O2 — CID 175637521

IUPAC5-bromo-2-cyclobutyl-3-[[2-(2-ethoxyethyl)-4-methylphenoxy]methyl]indazole
SMILESCCOCCc1cc(C)ccc1OCc1c2cc(Br)ccc2nn1C1CCC1
InChIInChI=1S/C23H27BrN2O2/c1-3-27-12-11-17-13-16(2)7-10-23(17)28-15-22-20-14-18(24)8-9-21(20)25-26(22)19-5-4-6-19/h7-10,13-14,19H,3-6,11-12,15H2,1-2H3
InChIKeyNZIKTMHACFAUPF-UHFFFAOYSA-N
MW443.39 g/mol
LogP5.99
Rot. Bonds8

About 5-bromo-2-cyclobutyl-3-[[2-(2-ethoxyethyl)-4-methylphenoxy]methyl]indazole

5-bromo-2-cyclobutyl-3-[[2-(2-ethoxyethyl)-4-methylphenoxy]methyl]indazole (PubChem CID 175637521) has the molecular formula C23H27BrN2O2 and a molecular weight of 443.39 g/mol. Its IUPAC name is 5-bromo-2-cyclobutyl-3-[[2-(2-ethoxyethyl)-4-methylphenoxy]methyl]indazole.

Molecular Properties

Compound Name5-bromo-2-cyclobutyl-3-[[2-(2-ethoxyethyl)-4-methylphenoxy]methyl]indazole
PubChem CID175637521
Molecular FormulaC23H27BrN2O2
Molecular Weight443.39 g/mol
Exact Mass442.13
IUPAC Name5-bromo-2-cyclobutyl-3-[[2-(2-ethoxyethyl)-4-methylphenoxy]methyl]indazole
SMILESCCOCCc1cc(C)ccc1OCc1c2cc(Br)ccc2nn1C1CCC1
InChIInChI=1S/C23H27BrN2O2/c1-3-27-12-11-17-13-16(2)7-10-23(17)28-15-22-20-14-18(24)8-9-21(20)25-26(22)19-5-4-6-19/h7-10,13-14,19H,3-6,11-12,15H2,1-2H3
InChIKeyNZIKTMHACFAUPF-UHFFFAOYSA-N
XLogP5.99
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.39
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-cyclobutyl-3-[[2-(2-ethoxy-2-oxoethyl)phenoxy]methyl]-6-methoxyindazol-5-yl]boronic acid
CID 170559363
ethyl 2-[2-[[5-(3-carbamimidoylphenyl)-2-cyclopentylindazol-3-yl]methoxy]phenyl]acetate
CID 170559521
ethyl 2-[2-[[2-cyclobutyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]methoxy]phenyl]acetate
CID 170559178
ethyl 2-[2-[[5-bromo-1-(oxan-3-yl)indazol-3-yl]methoxy]phenyl]acetate
CID 170559626
[2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanamine
CID 64800598
ethyl 2-[2-[[5-(1-aminoisoquinolin-5-yl)-2-(oxolan-3-yl)indazol-3-yl]methoxy]phenyl]acetate
CID 170559451
[2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanol
CID 64785535
N-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine
CID 104796321
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-(bromomethyl)-4-methylbenzene
CID 63535753
2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63325848
N-[[5-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66155021
6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine
CID 167985804

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclobutyl-3-[[2-(2-ethoxyethyl)-4-methylphenoxy]methyl]indazole?
The IUPAC name of 5-bromo-2-cyclobutyl-3-[[2-(2-ethoxyethyl)-4-methylphenoxy]methyl]indazole (CID 175637521) is 5-bromo-2-cyclobutyl-3-[[2-(2-ethoxyethyl)-4-methylphenoxy]methyl]indazole.
What is the SMILES notation for 5-bromo-2-cyclobutyl-3-[[2-(2-ethoxyethyl)-4-methylphenoxy]methyl]indazole?
The canonical SMILES for 5-bromo-2-cyclobutyl-3-[[2-(2-ethoxyethyl)-4-methylphenoxy]methyl]indazole is CCOCCc1cc(C)ccc1OCc1c2cc(Br)ccc2nn1C1CCC1.
What is the InChIKey of 5-bromo-2-cyclobutyl-3-[[2-(2-ethoxyethyl)-4-methylphenoxy]methyl]indazole?
The InChIKey is NZIKTMHACFAUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN2O2/c1-3-27-12-11-17-13-16(2)7-10-23(17)28-15-22-20-14-18(24)8-9-21(20)25-26(22)19-5-4-6-19/h7-10,13-14,19H,3-6,11-12,15H2,1-2H3.
What are the key properties of 5-bromo-2-cyclobutyl-3-[[2-(2-ethoxyethyl)-4-methylphenoxy]methyl]indazole?
5-bromo-2-cyclobutyl-3-[[2-(2-ethoxyethyl)-4-methylphenoxy]methyl]indazole has a molecular weight of 443.39 g/mol, XLogP of 5.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclobutyl-3-[[2-(2-ethoxyethyl)-4-methylphenoxy]methyl]indazole is sourced from PubChem (CID 175637521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).