(4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one

C25H27N3O5 — CID 53341079

IUPAC(4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1O[C@@H]1CCCOC1
InChIInChI=1S/C25H27N3O5/c1-30-23-11-17(6-7-22(23)33-18-4-3-9-31-15-18)20-12-21-19(5-2-8-26-21)25(28-20)32-14-16-10-24(29)27-13-16/h2,5-8,11-12,16,18H,3-4,9-10,13-15H2,1H3,(H,27,29)/t16-,18-/m1/s1
InChIKeyHXIHZWDMJDTXDW-SJLPKXTDSA-N
MW449.51 g/mol
LogP3.38
Rot. Bonds7

About (4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one

(4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 53341079) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is (4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID53341079
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name(4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1O[C@@H]1CCCOC1
InChIInChI=1S/C25H27N3O5/c1-30-23-11-17(6-7-22(23)33-18-4-3-9-31-15-18)20-12-21-19(5-2-8-26-21)25(28-20)32-14-16-10-24(29)27-13-16/h2,5-8,11-12,16,18H,3-4,9-10,13-15H2,1H3,(H,27,29)/t16-,18-/m1/s1
InChIKeyHXIHZWDMJDTXDW-SJLPKXTDSA-N
XLogP3.38
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (CID 53341079) is (4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1O[C@@H]1CCCOC1.
What is the InChIKey of (4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is HXIHZWDMJDTXDW-SJLPKXTDSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-30-23-11-17(6-7-22(23)33-18-4-3-9-31-15-18)20-12-21-19(5-2-8-26-21)25(28-20)32-14-16-10-24(29)27-13-16/h2,5-8,11-12,16,18H,3-4,9-10,13-15H2,1H3,(H,27,29)/t16-,18-/m1/s1.
What are the key properties of (4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
(4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 449.51 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 53341079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).