(4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2-methylpropyl]pyrrolidin-2-one

C24H27N3O4 — CID 58071860

IUPAC(4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2-methylpropyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3ncccc3c(OC(C(C)C)[C@H]3CNC(=O)C3)n2)cc1OC
InChIInChI=1S/C24H27N3O4/c1-14(2)23(16-11-22(28)26-13-16)31-24-17-6-5-9-25-19(17)12-18(27-24)15-7-8-20(29-3)21(10-15)30-4/h5-10,12,14,16,23H,11,13H2,1-4H3,(H,26,28)/t16-,23?/m1/s1
InChIKeyIYYYIYFSDAMZSZ-ADRQNKRLSA-N
MW421.50 g/mol
LogP3.85
Rot. Bonds7

About (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2-methylpropyl]pyrrolidin-2-one

(4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2-methylpropyl]pyrrolidin-2-one (PubChem CID 58071860) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2-methylpropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2-methylpropyl]pyrrolidin-2-one
PubChem CID58071860
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name(4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2-methylpropyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3ncccc3c(OC(C(C)C)[C@H]3CNC(=O)C3)n2)cc1OC
InChIInChI=1S/C24H27N3O4/c1-14(2)23(16-11-22(28)26-13-16)31-24-17-6-5-9-25-19(17)12-18(27-24)15-7-8-20(29-3)21(10-15)30-4/h5-10,12,14,16,23H,11,13H2,1-4H3,(H,26,28)/t16-,23?/m1/s1
InChIKeyIYYYIYFSDAMZSZ-ADRQNKRLSA-N
XLogP3.85
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2-methylpropyl]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

Related Compounds

CID 57404068
CID 57404068
CID 15958397
CID 15958397
CID 24965937
CID 24965937
CID 118613637
CID 118613637
CID 118613641
CID 118613641
CID 141473238
CID 141473238
CID 53341029
CID 53341029
CID 53341079
CID 53341079
CID 53341127
CID 53341127
CID 58071876
CID 58071876
CID 58071885
CID 58071885
CID 58071894
CID 58071894

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2-methylpropyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2-methylpropyl]pyrrolidin-2-one (CID 58071860) is (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2-methylpropyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2-methylpropyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2-methylpropyl]pyrrolidin-2-one is COc1ccc(-c2cc3ncccc3c(OC(C(C)C)[C@H]3CNC(=O)C3)n2)cc1OC.
What is the InChIKey of (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2-methylpropyl]pyrrolidin-2-one?
The InChIKey is IYYYIYFSDAMZSZ-ADRQNKRLSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-14(2)23(16-11-22(28)26-13-16)31-24-17-6-5-9-25-19(17)12-18(27-24)15-7-8-20(29-3)21(10-15)30-4/h5-10,12,14,16,23H,11,13H2,1-4H3,(H,26,28)/t16-,23?/m1/s1.
What are the key properties of (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2-methylpropyl]pyrrolidin-2-one?
(4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2-methylpropyl]pyrrolidin-2-one has a molecular weight of 421.50 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2-methylpropyl]pyrrolidin-2-one is sourced from PubChem (CID 58071860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).