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

C25H29N3O6 — CID 58071999

IUPAC(4R)-4-[(1R)-3-methoxy-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
SMILESCOCC[C@@H](Oc1nc(-c2cc(OC)c(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C25H29N3O6/c1-30-9-7-20(16-12-23(29)27-14-16)34-25-17-6-5-8-26-19(17)13-18(28-25)15-10-21(31-2)24(33-4)22(11-15)32-3/h5-6,8,10-11,13,16,20H,7,9,12,14H2,1-4H3,(H,27,29)/t16-,20-/m1/s1
InChIKeyBMOIDQWKLFTNLC-OXQOHEQNSA-N
MW467.52 g/mol
LogP3.24
Rot. Bonds10

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

(4R)-4-[(1R)-3-methoxy-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one (PubChem CID 58071999) has the molecular formula C25H29N3O6 and a molecular weight of 467.52 g/mol. Its IUPAC name is (4R)-4-[(1R)-3-methoxy-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-3-methoxy-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
PubChem CID58071999
Molecular FormulaC25H29N3O6
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC Name(4R)-4-[(1R)-3-methoxy-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
SMILESCOCC[C@@H](Oc1nc(-c2cc(OC)c(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C25H29N3O6/c1-30-9-7-20(16-12-23(29)27-14-16)34-25-17-6-5-8-26-19(17)13-18(28-25)15-10-21(31-2)24(33-4)22(11-15)32-3/h5-6,8,10-11,13,16,20H,7,9,12,14H2,1-4H3,(H,27,29)/t16-,20-/m1/s1
InChIKeyBMOIDQWKLFTNLC-OXQOHEQNSA-N
XLogP3.24
TPSA101.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4R)-4-[(1R)-3-methoxy-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]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)-3-methoxy-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-3-methoxy-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one (CID 58071999) is (4R)-4-[(1R)-3-methoxy-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-3-methoxy-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-3-methoxy-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one is COCC[C@@H](Oc1nc(-c2cc(OC)c(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-3-methoxy-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one?
The InChIKey is BMOIDQWKLFTNLC-OXQOHEQNSA-N. The full InChI is InChI=1S/C25H29N3O6/c1-30-9-7-20(16-12-23(29)27-14-16)34-25-17-6-5-8-26-19(17)13-18(28-25)15-10-21(31-2)24(33-4)22(11-15)32-3/h5-6,8,10-11,13,16,20H,7,9,12,14H2,1-4H3,(H,27,29)/t16-,20-/m1/s1.
What are the key properties of (4R)-4-[(1R)-3-methoxy-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one?
(4R)-4-[(1R)-3-methoxy-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one has a molecular weight of 467.52 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-3-methoxy-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one is sourced from PubChem (CID 58071999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).