5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole

C20H19BrN2O — CID 156792609

IUPAC5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole
SMILESBrc1ccc2c(c1)c(/C=C/c1ccccc1)nn2C1CCCCO1
InChIInChI=1S/C20H19BrN2O/c21-16-10-12-19-17(14-16)18(11-9-15-6-2-1-3-7-15)22-23(19)20-8-4-5-13-24-20/h1-3,6-7,9-12,14,20H,4-5,8,13H2/b11-9+
InChIKeyGNVIZDYFIYRUAT-PKNBQFBNSA-N
MW383.29 g/mol
LogP5.67
Rot. Bonds3

About 5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole

5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole (PubChem CID 156792609) has the molecular formula C20H19BrN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is 5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole.

Molecular Properties

Compound Name5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole
PubChem CID156792609
Molecular FormulaC20H19BrN2O
Molecular Weight383.29 g/mol
Exact Mass382.07
IUPAC Name5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole
SMILESBrc1ccc2c(c1)c(/C=C/c1ccccc1)nn2C1CCCCO1
InChIInChI=1S/C20H19BrN2O/c21-16-10-12-19-17(14-16)18(11-9-15-6-2-1-3-7-15)22-23(19)20-8-4-5-13-24-20/h1-3,6-7,9-12,14,20H,4-5,8,13H2/b11-9+
InChIKeyGNVIZDYFIYRUAT-PKNBQFBNSA-N
XLogP5.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(oxan-2-yl)-3-[(E)-2-[6-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]indazole
CID 156501282
5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole
CID 129411061
6-bromo-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 86676267
5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole
CID 166722465
2-[5-bromo-1-(oxan-2-yl)indazol-3-yl]indole-1-carboxylic acid
CID 155316580
3-[(4-fluorophenyl)methyl]-1-(oxan-2-yl)-5-[(E)-2-phenylethenyl]indazole
CID 69454397
5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole
CID 166551429
3-bromo-1-(oxolan-2-yl)indazole
CID 175417503
5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 137365980
5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 90460795
3-chloro-1-(oxan-2-yl)indazole
CID 66909910
5-bromo-3-fluoro-1-(oxan-2-yl)indazole;cis-(1R,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine;3-fluoro-5-iodo-1-(oxan-2-yl)indazole
CID 160781012

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole?
The IUPAC name of 5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole (CID 156792609) is 5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole.
What is the SMILES notation for 5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole?
The canonical SMILES for 5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole is Brc1ccc2c(c1)c(/C=C/c1ccccc1)nn2C1CCCCO1.
What is the InChIKey of 5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole?
The InChIKey is GNVIZDYFIYRUAT-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H19BrN2O/c21-16-10-12-19-17(14-16)18(11-9-15-6-2-1-3-7-15)22-23(19)20-8-4-5-13-24-20/h1-3,6-7,9-12,14,20H,4-5,8,13H2/b11-9+.
What are the key properties of 5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole?
5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole has a molecular weight of 383.29 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole is sourced from PubChem (CID 156792609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).