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

C25H29N3O4 — CID 58072076

IUPAC(4R)-4-[(1R)-1-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
SMILESCC[C@@H](Oc1nc(-c2ccc(OC(C)C)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C25H29N3O4/c1-5-21(17-12-24(29)27-14-17)32-25-18-7-6-10-26-20(18)13-19(28-25)16-8-9-22(31-15(2)3)23(11-16)30-4/h6-11,13,15,17,21H,5,12,14H2,1-4H3,(H,27,29)/t17-,21-/m1/s1
InChIKeyTYNDTGIXYQEEPD-DYESRHJHSA-N
MW435.52 g/mol
LogP4.39
Rot. Bonds8

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

(4R)-4-[(1R)-1-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one (PubChem CID 58072076) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
PubChem CID58072076
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name(4R)-4-[(1R)-1-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
SMILESCC[C@@H](Oc1nc(-c2ccc(OC(C)C)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C25H29N3O4/c1-5-21(17-12-24(29)27-14-17)32-25-18-7-6-10-26-20(18)13-19(28-25)16-8-9-22(31-15(2)3)23(11-16)30-4/h6-11,13,15,17,21H,5,12,14H2,1-4H3,(H,27,29)/t17-,21-/m1/s1
InChIKeyTYNDTGIXYQEEPD-DYESRHJHSA-N
XLogP4.39
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one (CID 58072076) is (4R)-4-[(1R)-1-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one is CC[C@@H](Oc1nc(-c2ccc(OC(C)C)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one?
The InChIKey is TYNDTGIXYQEEPD-DYESRHJHSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-5-21(17-12-24(29)27-14-17)32-25-18-7-6-10-26-20(18)13-19(28-25)16-8-9-22(31-15(2)3)23(11-16)30-4/h6-11,13,15,17,21H,5,12,14H2,1-4H3,(H,27,29)/t17-,21-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one has a molecular weight of 435.52 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one is sourced from PubChem (CID 58072076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).