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

C24H25N3O5 — CID 58072033

IUPAC(4R)-4-[[7-[3-methoxy-4-[(3R)-oxolan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1O[C@@H]1CCOC1
InChIInChI=1S/C24H25N3O5/c1-29-22-10-16(4-5-21(22)32-17-6-8-30-14-17)19-11-20-18(3-2-7-25-20)24(27-19)31-13-15-9-23(28)26-12-15/h2-5,7,10-11,15,17H,6,8-9,12-14H2,1H3,(H,26,28)/t15-,17-/m1/s1
InChIKeyLPRSGRSPCFWAHI-NVXWUHKLSA-N
MW435.48 g/mol
LogP2.99
Rot. Bonds7

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

(4R)-4-[[7-[3-methoxy-4-[(3R)-oxolan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 58072033) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is (4R)-4-[[7-[3-methoxy-4-[(3R)-oxolan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[7-[3-methoxy-4-[(3R)-oxolan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID58072033
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name(4R)-4-[[7-[3-methoxy-4-[(3R)-oxolan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1O[C@@H]1CCOC1
InChIInChI=1S/C24H25N3O5/c1-29-22-10-16(4-5-21(22)32-17-6-8-30-14-17)19-11-20-18(3-2-7-25-20)24(27-19)31-13-15-9-23(28)26-12-15/h2-5,7,10-11,15,17H,6,8-9,12-14H2,1H3,(H,26,28)/t15-,17-/m1/s1
InChIKeyLPRSGRSPCFWAHI-NVXWUHKLSA-N
XLogP2.99
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.99
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)-oxolan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[[7-[3-methoxy-4-[(3R)-oxolan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (CID 58072033) is (4R)-4-[[7-[3-methoxy-4-[(3R)-oxolan-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)-oxolan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[7-[3-methoxy-4-[(3R)-oxolan-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]1CCOC1.
What is the InChIKey of (4R)-4-[[7-[3-methoxy-4-[(3R)-oxolan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is LPRSGRSPCFWAHI-NVXWUHKLSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-29-22-10-16(4-5-21(22)32-17-6-8-30-14-17)19-11-20-18(3-2-7-25-20)24(27-19)31-13-15-9-23(28)26-12-15/h2-5,7,10-11,15,17H,6,8-9,12-14H2,1H3,(H,26,28)/t15-,17-/m1/s1.
What are the key properties of (4R)-4-[[7-[3-methoxy-4-[(3R)-oxolan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
(4R)-4-[[7-[3-methoxy-4-[(3R)-oxolan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 435.48 g/mol, XLogP of 2.99, 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)-oxolan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 58072033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).