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

C15H18BrN3O2 — CID 126664260

IUPAC(4R)-4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]pyrrolidin-2-one
SMILESCc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)cc(Br)cc2nn1C
InChIInChI=1S/C15H18BrN3O2/c1-8-15-12(18-19(8)3)5-11(16)6-13(15)21-9(2)10-4-14(20)17-7-10/h5-6,9-10H,4,7H2,1-3H3,(H,17,20)/t9-,10-/m1/s1
InChIKeyMTGUCXNVIRCRIN-NXEZZACHSA-N
MW352.23 g/mol
LogP2.55
Rot. Bonds3

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

(4R)-4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]pyrrolidin-2-one (PubChem CID 126664260) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]pyrrolidin-2-one
PubChem CID126664260
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name(4R)-4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]pyrrolidin-2-one
SMILESCc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)cc(Br)cc2nn1C
InChIInChI=1S/C15H18BrN3O2/c1-8-15-12(18-19(8)3)5-11(16)6-13(15)21-9(2)10-4-14(20)17-7-10/h5-6,9-10H,4,7H2,1-3H3,(H,17,20)/t9-,10-/m1/s1
InChIKeyMTGUCXNVIRCRIN-NXEZZACHSA-N
XLogP2.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]pyrrolidin-2-one (CID 126664260) is (4R)-4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]pyrrolidin-2-one is Cc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)cc(Br)cc2nn1C.
What is the InChIKey of (4R)-4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
The InChIKey is MTGUCXNVIRCRIN-NXEZZACHSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-8-15-12(18-19(8)3)5-11(16)6-13(15)21-9(2)10-4-14(20)17-7-10/h5-6,9-10H,4,7H2,1-3H3,(H,17,20)/t9-,10-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]pyrrolidin-2-one has a molecular weight of 352.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 126664260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).