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

C22H20F3N3O4 — CID 58071915

IUPAC(4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3ncccc3c(O[C@@H]([C@H]3CNC(=O)C3)C(F)(F)F)n2)cc1OC
InChIInChI=1S/C22H20F3N3O4/c1-30-17-6-5-12(8-18(17)31-2)15-10-16-14(4-3-7-26-16)21(28-15)32-20(22(23,24)25)13-9-19(29)27-11-13/h3-8,10,13,20H,9,11H2,1-2H3,(H,27,29)/t13-,20+/m1/s1
InChIKeyPZLPEKLPBWHIEV-XCLFUZPHSA-N
MW447.41 g/mol
LogP3.76
Rot. Bonds6

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

(4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one (PubChem CID 58071915) has the molecular formula C22H20F3N3O4 and a molecular weight of 447.41 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one
PubChem CID58071915
Molecular FormulaC22H20F3N3O4
Molecular Weight447.41 g/mol
Exact Mass447.14
IUPAC Name(4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3ncccc3c(O[C@@H]([C@H]3CNC(=O)C3)C(F)(F)F)n2)cc1OC
InChIInChI=1S/C22H20F3N3O4/c1-30-17-6-5-12(8-18(17)31-2)15-10-16-14(4-3-7-26-16)21(28-15)32-20(22(23,24)25)13-9-19(29)27-11-13/h3-8,10,13,20H,9,11H2,1-2H3,(H,27,29)/t13-,20+/m1/s1
InChIKeyPZLPEKLPBWHIEV-XCLFUZPHSA-N
XLogP3.76
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]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-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one (CID 58071915) is (4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one is COc1ccc(-c2cc3ncccc3c(O[C@@H]([C@H]3CNC(=O)C3)C(F)(F)F)n2)cc1OC.
What is the InChIKey of (4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one?
The InChIKey is PZLPEKLPBWHIEV-XCLFUZPHSA-N. The full InChI is InChI=1S/C22H20F3N3O4/c1-30-17-6-5-12(8-18(17)31-2)15-10-16-14(4-3-7-26-16)21(28-15)32-20(22(23,24)25)13-9-19(29)27-11-13/h3-8,10,13,20H,9,11H2,1-2H3,(H,27,29)/t13-,20+/m1/s1.
What are the key properties of (4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one?
(4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one has a molecular weight of 447.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one is sourced from PubChem (CID 58071915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).