[5-cyclopropyl-6-(methoxymethyl)-1-(oxan-2-yl)indazol-4-yl]boronic acid

C17H23BN2O4 — CID 171567858

IUPAC[5-cyclopropyl-6-(methoxymethyl)-1-(oxan-2-yl)indazol-4-yl]boronic acid
SMILESCOCc1cc2c(cnn2C2CCCCO2)c(B(O)O)c1C1CC1
InChIInChI=1S/C17H23BN2O4/c1-23-10-12-8-14-13(17(18(21)22)16(12)11-5-6-11)9-19-20(14)15-4-2-3-7-24-15/h8-9,11,15,21-22H,2-7,10H2,1H3
InChIKeyGCPVEUSJQRBNGF-UHFFFAOYSA-N
MW330.19 g/mol
LogP1.44
Rot. Bonds5

About [5-cyclopropyl-6-(methoxymethyl)-1-(oxan-2-yl)indazol-4-yl]boronic acid

[5-cyclopropyl-6-(methoxymethyl)-1-(oxan-2-yl)indazol-4-yl]boronic acid (PubChem CID 171567858) has the molecular formula C17H23BN2O4 and a molecular weight of 330.19 g/mol. Its IUPAC name is [5-cyclopropyl-6-(methoxymethyl)-1-(oxan-2-yl)indazol-4-yl]boronic acid.

Molecular Properties

Compound Name[5-cyclopropyl-6-(methoxymethyl)-1-(oxan-2-yl)indazol-4-yl]boronic acid
PubChem CID171567858
Molecular FormulaC17H23BN2O4
Molecular Weight330.19 g/mol
Exact Mass330.18
IUPAC Name[5-cyclopropyl-6-(methoxymethyl)-1-(oxan-2-yl)indazol-4-yl]boronic acid
SMILESCOCc1cc2c(cnn2C2CCCCO2)c(B(O)O)c1C1CC1
InChIInChI=1S/C17H23BN2O4/c1-23-10-12-8-14-13(17(18(21)22)16(12)11-5-6-11)9-19-20(14)15-4-2-3-7-24-15/h8-9,11,15,21-22H,2-7,10H2,1H3
InChIKeyGCPVEUSJQRBNGF-UHFFFAOYSA-N
XLogP1.44
TPSA76.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-[(2S)-oxan-2-yl]indazol-4-yl]boronic acid
CID 125117039
[1-(oxan-2-yl)indazol-4-yl]boronic acid
CID 118993474
[5-(furan-2-yl)-1-(oxan-2-yl)-6-(trifluoromethyl)indazol-4-yl]boronic acid
CID 171568226
2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid
CID 126485697
5-cyclopropyl-6-methyl-1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 164534746
4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol
CID 171613304
5-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)methyl]-4-cyclopropyl-1-(oxan-2-yl)indazole
CID 162008756
6-ethyl-1-(oxan-2-yl)indazol-4-amine
CID 175161622
1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine
CID 171067405
CID 178018564
CID 178018564
2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol
CID 177150139
6-chloro-4-ethynyl-1-(oxan-2-yl)indazole
CID 134298715

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-(methoxymethyl)-1-(oxan-2-yl)indazol-4-yl]boronic acid?
The IUPAC name of [5-cyclopropyl-6-(methoxymethyl)-1-(oxan-2-yl)indazol-4-yl]boronic acid (CID 171567858) is [5-cyclopropyl-6-(methoxymethyl)-1-(oxan-2-yl)indazol-4-yl]boronic acid.
What is the SMILES notation for [5-cyclopropyl-6-(methoxymethyl)-1-(oxan-2-yl)indazol-4-yl]boronic acid?
The canonical SMILES for [5-cyclopropyl-6-(methoxymethyl)-1-(oxan-2-yl)indazol-4-yl]boronic acid is COCc1cc2c(cnn2C2CCCCO2)c(B(O)O)c1C1CC1.
What is the InChIKey of [5-cyclopropyl-6-(methoxymethyl)-1-(oxan-2-yl)indazol-4-yl]boronic acid?
The InChIKey is GCPVEUSJQRBNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BN2O4/c1-23-10-12-8-14-13(17(18(21)22)16(12)11-5-6-11)9-19-20(14)15-4-2-3-7-24-15/h8-9,11,15,21-22H,2-7,10H2,1H3.
What are the key properties of [5-cyclopropyl-6-(methoxymethyl)-1-(oxan-2-yl)indazol-4-yl]boronic acid?
[5-cyclopropyl-6-(methoxymethyl)-1-(oxan-2-yl)indazol-4-yl]boronic acid has a molecular weight of 330.19 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-6-(methoxymethyl)-1-(oxan-2-yl)indazol-4-yl]boronic acid is sourced from PubChem (CID 171567858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).