(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

C23H26BrN3O3 — CID 118386405

IUPAC(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc([C@H](C)N2C[C@H]([C@@H](C)Oc3cc(Br)cc4nn(C)cc34)CC2=O)cc1
InChIInChI=1S/C23H26BrN3O3/c1-14(16-5-7-19(29-4)8-6-16)27-12-17(9-23(27)28)15(2)30-22-11-18(24)10-21-20(22)13-26(3)25-21/h5-8,10-11,13-15,17H,9,12H2,1-4H3/t14-,15+,17+/m0/s1
InChIKeyGGMMNSNOADVWIP-ZMSDIMECSA-N
MW472.38 g/mol
LogP4.72
Rot. Bonds6

About (4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 118386405) has the molecular formula C23H26BrN3O3 and a molecular weight of 472.38 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID118386405
Molecular FormulaC23H26BrN3O3
Molecular Weight472.38 g/mol
Exact Mass471.12
IUPAC Name(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc([C@H](C)N2C[C@H]([C@@H](C)Oc3cc(Br)cc4nn(C)cc34)CC2=O)cc1
InChIInChI=1S/C23H26BrN3O3/c1-14(16-5-7-19(29-4)8-6-16)27-12-17(9-23(27)28)15(2)30-22-11-18(24)10-21-20(22)13-26(3)25-21/h5-8,10-11,13-15,17H,9,12H2,1-4H3/t14-,15+,17+/m0/s1
InChIKeyGGMMNSNOADVWIP-ZMSDIMECSA-N
XLogP4.72
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 118386405) is (4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is COc1ccc([C@H](C)N2C[C@H]([C@@H](C)Oc3cc(Br)cc4nn(C)cc34)CC2=O)cc1.
What is the InChIKey of (4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is GGMMNSNOADVWIP-ZMSDIMECSA-N. The full InChI is InChI=1S/C23H26BrN3O3/c1-14(16-5-7-19(29-4)8-6-16)27-12-17(9-23(27)28)15(2)30-22-11-18(24)10-21-20(22)13-26(3)25-21/h5-8,10-11,13-15,17H,9,12H2,1-4H3/t14-,15+,17+/m0/s1.
What are the key properties of (4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 472.38 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-(6-bromo-2-methylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 118386405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).