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

C23H25N3O4 — CID 58072012

IUPAC(4R)-4-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1OC(C)C
InChIInChI=1S/C23H25N3O4/c1-14(2)30-20-7-6-16(10-21(20)28-3)18-11-19-17(5-4-8-24-19)23(26-18)29-13-15-9-22(27)25-12-15/h4-8,10-11,14-15H,9,12-13H2,1-3H3,(H,25,27)/t15-/m1/s1
InChIKeyYDVSIQPHXZYCFM-OAHLLOKOSA-N
MW407.47 g/mol
LogP3.61
Rot. Bonds7

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

(4R)-4-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 58072012) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (4R)-4-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID58072012
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name(4R)-4-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1OC(C)C
InChIInChI=1S/C23H25N3O4/c1-14(2)30-20-7-6-16(10-21(20)28-3)18-11-19-17(5-4-8-24-19)23(26-18)29-13-15-9-22(27)25-12-15/h4-8,10-11,14-15H,9,12-13H2,1-3H3,(H,25,27)/t15-/m1/s1
InChIKeyYDVSIQPHXZYCFM-OAHLLOKOSA-N
XLogP3.61
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (CID 58072012) is (4R)-4-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1OC(C)C.
What is the InChIKey of (4R)-4-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is YDVSIQPHXZYCFM-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-14(2)30-20-7-6-16(10-21(20)28-3)18-11-19-17(5-4-8-24-19)23(26-18)29-13-15-9-22(27)25-12-15/h4-8,10-11,14-15H,9,12-13H2,1-3H3,(H,25,27)/t15-/m1/s1.
What are the key properties of (4R)-4-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
(4R)-4-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 407.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 58072012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).