(3S)-3-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]cyclopentan-1-one

C16H19BrN2O2 — CID 160549217

IUPAC(3S)-3-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]cyclopentan-1-one
SMILESCc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)cc(Br)cc2nn1C
InChIInChI=1S/C16H19BrN2O2/c1-9-16-14(18-19(9)3)7-12(17)8-15(16)21-10(2)11-4-5-13(20)6-11/h7-8,10-11H,4-6H2,1-3H3/t10-,11+/m1/s1
InChIKeyANNSQUSKGGXUPF-MNOVXSKESA-N
MW351.24 g/mol
LogP3.78
Rot. Bonds3

About (3S)-3-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]cyclopentan-1-one (PubChem CID 160549217) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]cyclopentan-1-one
PubChem CID160549217
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name(3S)-3-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]cyclopentan-1-one
SMILESCc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)cc(Br)cc2nn1C
InChIInChI=1S/C16H19BrN2O2/c1-9-16-14(18-19(9)3)7-12(17)8-15(16)21-10(2)11-4-5-13(20)6-11/h7-8,10-11H,4-6H2,1-3H3/t10-,11+/m1/s1
InChIKeyANNSQUSKGGXUPF-MNOVXSKESA-N
XLogP3.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]cyclopentan-1-one 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

(4R)-4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 126664233
(4R)-4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 126664234
(4R)-4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one
CID 126664257
4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one
CID 126664258
6-Bromo-3-fluoro-4-methoxy-2-methyl-2H-indazole
CID 126681012
(4R)-4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 126681021
(3R,4R)-4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]-3-methylpyrrolidin-2-one
CID 126701667
6-bromo-3-fluoro-2-methyl-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]indazole
CID 150951128
6-Bromo-4-(difluoromethoxy)-3-iodo-2-methylindazole
CID 172606021
(4R)-4-[1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 175135442
(4R)-4-[1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one
CID 175355724
(3S)-3-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]cyclopentan-1-one
CID 161044818

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]cyclopentan-1-one (CID 160549217) is (3S)-3-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]cyclopentan-1-one is Cc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)cc(Br)cc2nn1C.
What is the InChIKey of (3S)-3-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]cyclopentan-1-one?
The InChIKey is ANNSQUSKGGXUPF-MNOVXSKESA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-9-16-14(18-19(9)3)7-12(17)8-15(16)21-10(2)11-4-5-13(20)6-11/h7-8,10-11H,4-6H2,1-3H3/t10-,11+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]cyclopentan-1-one?
(3S)-3-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]cyclopentan-1-one has a molecular weight of 351.24 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 160549217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).