4-bromo-2-methyl-7-[(3R)-oxolan-3-yl]oxyindazole

C12H13BrN2O2 — CID 171760536

IUPAC4-bromo-2-methyl-7-[(3R)-oxolan-3-yl]oxyindazole
SMILESCn1cc2c(Br)ccc(O[C@@H]3CCOC3)c2n1
InChIInChI=1S/C12H13BrN2O2/c1-15-6-9-10(13)2-3-11(12(9)14-15)17-8-4-5-16-7-8/h2-3,6,8H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyMBULVYVDVDWYNR-MRVPVSSYSA-N
MW297.15 g/mol
LogP2.50
Rot. Bonds2

About 4-bromo-2-methyl-7-[(3R)-oxolan-3-yl]oxyindazole

4-bromo-2-methyl-7-[(3R)-oxolan-3-yl]oxyindazole (PubChem CID 171760536) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 4-bromo-2-methyl-7-[(3R)-oxolan-3-yl]oxyindazole.

Molecular Properties

Compound Name4-bromo-2-methyl-7-[(3R)-oxolan-3-yl]oxyindazole
PubChem CID171760536
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name4-bromo-2-methyl-7-[(3R)-oxolan-3-yl]oxyindazole
SMILESCn1cc2c(Br)ccc(O[C@@H]3CCOC3)c2n1
InChIInChI=1S/C12H13BrN2O2/c1-15-6-9-10(13)2-3-11(12(9)14-15)17-8-4-5-16-7-8/h2-3,6,8H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyMBULVYVDVDWYNR-MRVPVSSYSA-N
XLogP2.50
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-methyl-7-[(3R)-oxolan-3-yl]oxyindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine
CID 106949868
(3S)-3-(2-bromo-5-fluorophenoxy)oxolane
CID 118590561
(1R)-1-[3-bromo-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 78945077
(3R)-3-(4-bromo-3-methylphenoxy)oxolane
CID 138986690
6-bromo-2-fluoro-3-[(3S)-oxolan-3-yl]oxybenzonitrile;sulfane
CID 163664518
6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline
CID 135197733
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide
CID 63559381
(1R)-1-[5-bromo-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556778
3-bromo-5-methoxy-4-(oxolan-3-yloxy)benzaldehyde
CID 63558544
3-(4-fluoro-2-propan-2-ylphenoxy)oxolane
CID 164786398
4-(oxolan-3-yloxy)naphthalen-1-amine
CID 63690299

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-7-[(3R)-oxolan-3-yl]oxyindazole?
The IUPAC name of 4-bromo-2-methyl-7-[(3R)-oxolan-3-yl]oxyindazole (CID 171760536) is 4-bromo-2-methyl-7-[(3R)-oxolan-3-yl]oxyindazole.
What is the SMILES notation for 4-bromo-2-methyl-7-[(3R)-oxolan-3-yl]oxyindazole?
The canonical SMILES for 4-bromo-2-methyl-7-[(3R)-oxolan-3-yl]oxyindazole is Cn1cc2c(Br)ccc(O[C@@H]3CCOC3)c2n1.
What is the InChIKey of 4-bromo-2-methyl-7-[(3R)-oxolan-3-yl]oxyindazole?
The InChIKey is MBULVYVDVDWYNR-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-15-6-9-10(13)2-3-11(12(9)14-15)17-8-4-5-16-7-8/h2-3,6,8H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of 4-bromo-2-methyl-7-[(3R)-oxolan-3-yl]oxyindazole?
4-bromo-2-methyl-7-[(3R)-oxolan-3-yl]oxyindazole has a molecular weight of 297.15 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-7-[(3R)-oxolan-3-yl]oxyindazole is sourced from PubChem (CID 171760536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).