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

C14H15BrFN3O2 — CID 175355724

IUPAC(4R)-4-[1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1cc(Br)cc2nn(C)c(F)c12)[C@H]1CNC(=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-BRFYHDHCSA-N
MW356.20 g/mol
LogP2.38
Rot. Bonds3

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

(4R)-4-[1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one (PubChem CID 175355724) has the molecular formula C14H15BrFN3O2 and a molecular weight of 356.20 g/mol. Its IUPAC name is (4R)-4-[1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one
PubChem CID175355724
Molecular FormulaC14H15BrFN3O2
Molecular Weight356.20 g/mol
Exact Mass355.03
IUPAC Name(4R)-4-[1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1cc(Br)cc2nn(C)c(F)c12)[C@H]1CNC(=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-BRFYHDHCSA-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 (4R)-4-[1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one (CID 175355724) is (4R)-4-[1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one is CC(Oc1cc(Br)cc2nn(C)c(F)c12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
The InChIKey is UYUREWYBTSDCCF-BRFYHDHCSA-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 (4R)-4-[1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
(4R)-4-[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 (4R)-4-[1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 175355724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).