4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one

C14H15BrFN3O2 — CID 126664258

IUPAC4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(Br)cc2nn(C)c(F)c12)C1CNC(=O)C1
InChIInChI=1S/C14H15BrFN3O2/c1-7(8-3-12(20)17-6-8)21-11-5-9(15)4-10-13(11)14(16)19(2)18-10/h4-5,7-8H,3,6H2,1-2H3,(H,17,20)/t7-,8?/m1/s1
InChIKeyUYUREWYBTSDCCF-GVHYBUMESA-N
MW356.20 g/mol
LogP2.38
Rot. Bonds3

About 4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one

4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one (PubChem CID 126664258) has the molecular formula C14H15BrFN3O2 and a molecular weight of 356.20 g/mol. Its IUPAC name is 4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one
PubChem CID126664258
Molecular FormulaC14H15BrFN3O2
Molecular Weight356.20 g/mol
Exact Mass355.03
IUPAC Name4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(Br)cc2nn(C)c(F)c12)C1CNC(=O)C1
InChIInChI=1S/C14H15BrFN3O2/c1-7(8-3-12(20)17-6-8)21-11-5-9(15)4-10-13(11)14(16)19(2)18-10/h4-5,7-8H,3,6H2,1-2H3,(H,17,20)/t7-,8?/m1/s1
InChIKeyUYUREWYBTSDCCF-GVHYBUMESA-N
XLogP2.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one (CID 126664258) is 4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(Br)cc2nn(C)c(F)c12)C1CNC(=O)C1.
What is the InChIKey of 4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
The InChIKey is UYUREWYBTSDCCF-GVHYBUMESA-N. The full InChI is InChI=1S/C14H15BrFN3O2/c1-7(8-3-12(20)17-6-8)21-11-5-9(15)4-10-13(11)14(16)19(2)18-10/h4-5,7-8H,3,6H2,1-2H3,(H,17,20)/t7-,8?/m1/s1.
What are the key properties of 4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one has a molecular weight of 356.20 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 126664258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).