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

C27H31N3O5 — CID 58072070

IUPAC(4R)-4-[(1R)-1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
SMILESCC[C@@H](Oc1nc(-c2ccc(OC3CCOCC3)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C27H31N3O5/c1-3-23(18-14-26(31)29-16-18)35-27-20-5-4-10-28-22(20)15-21(30-27)17-6-7-24(25(13-17)32-2)34-19-8-11-33-12-9-19/h4-7,10,13,15,18-19,23H,3,8-9,11-12,14,16H2,1-2H3,(H,29,31)/t18-,23-/m1/s1
InChIKeyLHWABEKIGAQXKZ-WZONZLPQSA-N
MW477.56 g/mol
LogP4.16
Rot. Bonds8

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

(4R)-4-[(1R)-1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one (PubChem CID 58072070) has the molecular formula C27H31N3O5 and a molecular weight of 477.56 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]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]propyl]pyrrolidin-2-one
PubChem CID58072070
Molecular FormulaC27H31N3O5
Molecular Weight477.56 g/mol
Exact Mass477.23
IUPAC Name(4R)-4-[(1R)-1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
SMILESCC[C@@H](Oc1nc(-c2ccc(OC3CCOCC3)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C27H31N3O5/c1-3-23(18-14-26(31)29-16-18)35-27-20-5-4-10-28-22(20)15-21(30-27)17-6-7-24(25(13-17)32-2)34-19-8-11-33-12-9-19/h4-7,10,13,15,18-19,23H,3,8-9,11-12,14,16H2,1-2H3,(H,29,31)/t18-,23-/m1/s1
InChIKeyLHWABEKIGAQXKZ-WZONZLPQSA-N
XLogP4.16
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.16
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]propyl]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]propyl]pyrrolidin-2-one (CID 58072070) is (4R)-4-[(1R)-1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]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]propyl]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]propyl]pyrrolidin-2-one is CC[C@@H](Oc1nc(-c2ccc(OC3CCOCC3)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one?
The InChIKey is LHWABEKIGAQXKZ-WZONZLPQSA-N. The full InChI is InChI=1S/C27H31N3O5/c1-3-23(18-14-26(31)29-16-18)35-27-20-5-4-10-28-22(20)15-21(30-27)17-6-7-24(25(13-17)32-2)34-19-8-11-33-12-9-19/h4-7,10,13,15,18-19,23H,3,8-9,11-12,14,16H2,1-2H3,(H,29,31)/t18-,23-/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]propyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one has a molecular weight of 477.56 g/mol, XLogP of 4.16, 8 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]propyl]pyrrolidin-2-one is sourced from PubChem (CID 58072070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).