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

C23H25N3O5 — CID 57404068

IUPAC(4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(OC)c1OC
InChIInChI=1S/C23H25N3O5/c1-13(15-10-21(27)25-12-15)31-23-16-6-5-7-24-18(16)11-17(26-23)14-8-19(28-2)22(30-4)20(9-14)29-3/h5-9,11,13,15H,10,12H2,1-4H3,(H,25,27)/t13-,15-/m1/s1
InChIKeyBRYUNLVJDCMANZ-UKRRQHHQSA-N
MW423.47 g/mol
LogP3.23
Rot. Bonds7

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

(4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 57404068) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
PubChem CID57404068
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name(4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(OC)c1OC
InChIInChI=1S/C23H25N3O5/c1-13(15-10-21(27)25-12-15)31-23-16-6-5-7-24-18(16)11-17(26-23)14-8-19(28-2)22(30-4)20(9-14)29-3/h5-9,11,13,15H,10,12H2,1-4H3,(H,25,27)/t13-,15-/m1/s1
InChIKeyBRYUNLVJDCMANZ-UKRRQHHQSA-N
XLogP3.23
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (CID 57404068) is (4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(OC)c1OC.
What is the InChIKey of (4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The InChIKey is BRYUNLVJDCMANZ-UKRRQHHQSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-13(15-10-21(27)25-12-15)31-23-16-6-5-7-24-18(16)11-17(26-23)14-8-19(28-2)22(30-4)20(9-14)29-3/h5-9,11,13,15H,10,12H2,1-4H3,(H,25,27)/t13-,15-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 423.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 57404068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).