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

C26H29N3O5 — CID 58072060

IUPAC(4R)-4-[(1R)-1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1OC1CCOCC1
InChIInChI=1S/C26H29N3O5/c1-16(18-13-25(30)28-15-18)33-26-20-4-3-9-27-22(20)14-21(29-26)17-5-6-23(24(12-17)31-2)34-19-7-10-32-11-8-19/h3-6,9,12,14,16,18-19H,7-8,10-11,13,15H2,1-2H3,(H,28,30)/t16-,18-/m1/s1
InChIKeyXKTZEKFEXFUACU-SJLPKXTDSA-N
MW463.53 g/mol
LogP3.77
Rot. Bonds7

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

(4R)-4-[(1R)-1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 58072060) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
PubChem CID58072060
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name(4R)-4-[(1R)-1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1OC1CCOCC1
InChIInChI=1S/C26H29N3O5/c1-16(18-13-25(30)28-15-18)33-26-20-4-3-9-27-22(20)14-21(29-26)17-5-6-23(24(12-17)31-2)34-19-7-10-32-11-8-19/h3-6,9,12,14,16,18-19H,7-8,10-11,13,15H2,1-2H3,(H,28,30)/t16-,18-/m1/s1
InChIKeyXKTZEKFEXFUACU-SJLPKXTDSA-N
XLogP3.77
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.77
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-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (CID 58072060) is (4R)-4-[(1R)-1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1OC1CCOCC1.
What is the InChIKey of (4R)-4-[(1R)-1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The InChIKey is XKTZEKFEXFUACU-SJLPKXTDSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-16(18-13-25(30)28-15-18)33-26-20-4-3-9-27-22(20)14-21(29-26)17-5-6-23(24(12-17)31-2)34-19-7-10-32-11-8-19/h3-6,9,12,14,16,18-19H,7-8,10-11,13,15H2,1-2H3,(H,28,30)/t16-,18-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 463.53 g/mol, XLogP of 3.77, 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-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 58072060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).