ethyl 2-(3-fluorophenyl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoate

C26H28FN3O3 — CID 54243618

IUPACethyl 2-(3-fluorophenyl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoate
SMILESCCOC(=O)C(CN1CC[C@H](CCCc2ccc3cccnc3n2)C1=O)c1cccc(F)c1
InChIInChI=1S/C26H28FN3O3/c1-2-33-26(32)23(20-7-3-9-21(27)16-20)17-30-15-13-19(25(30)31)6-4-10-22-12-11-18-8-5-14-28-24(18)29-22/h3,5,7-9,11-12,14,16,19,23H,2,4,6,10,13,15,17H2,1H3/t19-,23?/m0/s1
InChIKeyQRSUJHRYUVMJNR-HSTJUUNISA-N
MW449.53 g/mol
LogP4.29
Rot. Bonds9

About ethyl 2-(3-fluorophenyl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoate

ethyl 2-(3-fluorophenyl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoate (PubChem CID 54243618) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is ethyl 2-(3-fluorophenyl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-(3-fluorophenyl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoate
PubChem CID54243618
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC Nameethyl 2-(3-fluorophenyl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoate
SMILESCCOC(=O)C(CN1CC[C@H](CCCc2ccc3cccnc3n2)C1=O)c1cccc(F)c1
InChIInChI=1S/C26H28FN3O3/c1-2-33-26(32)23(20-7-3-9-21(27)16-20)17-30-15-13-19(25(30)31)6-4-10-22-12-11-18-8-5-14-28-24(18)29-22/h3,5,7-9,11-12,14,16,19,23H,2,4,6,10,13,15,17H2,1H3/t19-,23?/m0/s1
InChIKeyQRSUJHRYUVMJNR-HSTJUUNISA-N
XLogP4.29
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(1,8-naphthyridin-2-yl)propyl]piperidin-2-one
CID 59951839
(3S)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-1-(2-oxopropyl)pyrrolidin-2-one
CID 59951655
ethyl 3-(3-fluorophenyl)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]propanoate
CID 57176154
2-[3-[(3S)-1-ethyl-2-oxopyrrolidin-3-yl]propyl]pyridine-4-carboxylic acid
CID 160943438
ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate
CID 175788688
2-pentyl-1,8-naphthyridine
CID 11481079
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)acetate
CID 54892911
tert-butyl 3-[3-(4-fluoro-3,5-dimethylpyrazol-1-yl)phenyl]-4-[3-[2-(1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]butanoate
CID 134279822
ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid
CID 162436158
ethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate
CID 175253783
tert-butyl 3-[3-(1,8-naphthyridin-2-yl)propoxymethyl]pyrrolidine-1-carboxylate
CID 146423056
ethyl (3S)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]-3-quinolin-3-ylpropanoate
CID 68819508

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluorophenyl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoate?
The IUPAC name of ethyl 2-(3-fluorophenyl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoate (CID 54243618) is ethyl 2-(3-fluorophenyl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoate.
What is the SMILES notation for ethyl 2-(3-fluorophenyl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoate?
The canonical SMILES for ethyl 2-(3-fluorophenyl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoate is CCOC(=O)C(CN1CC[C@H](CCCc2ccc3cccnc3n2)C1=O)c1cccc(F)c1.
What is the InChIKey of ethyl 2-(3-fluorophenyl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoate?
The InChIKey is QRSUJHRYUVMJNR-HSTJUUNISA-N. The full InChI is InChI=1S/C26H28FN3O3/c1-2-33-26(32)23(20-7-3-9-21(27)16-20)17-30-15-13-19(25(30)31)6-4-10-22-12-11-18-8-5-14-28-24(18)29-22/h3,5,7-9,11-12,14,16,19,23H,2,4,6,10,13,15,17H2,1H3/t19-,23?/m0/s1.
What are the key properties of ethyl 2-(3-fluorophenyl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoate?
ethyl 2-(3-fluorophenyl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoate has a molecular weight of 449.53 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluorophenyl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoate is sourced from PubChem (CID 54243618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).