ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate

C26H33FN4O4 — CID 10994521

IUPACethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate
SMILESCCOC(=O)C[C@@H](c1ccc(OC)c(F)c1)N1CCN(CCCc2ccc3c(n2)NCCC3)C1=O
InChIInChI=1S/C26H33FN4O4/c1-3-35-24(32)17-22(19-9-11-23(34-2)21(27)16-19)31-15-14-30(26(31)33)13-5-7-20-10-8-18-6-4-12-28-25(18)29-20/h8-11,16,22H,3-7,12-15,17H2,1-2H3,(H,28,29)/t22-/m0/s1
InChIKeyXBAODQVZDVXKAT-QFIPXVFZSA-N
MW484.57 g/mol
LogP3.95
Rot. Bonds10

About ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate

ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate (PubChem CID 10994521) has the molecular formula C26H33FN4O4 and a molecular weight of 484.57 g/mol. Its IUPAC name is ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate
PubChem CID10994521
Molecular FormulaC26H33FN4O4
Molecular Weight484.57 g/mol
Exact Mass484.25
IUPAC Nameethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate
SMILESCCOC(=O)C[C@@H](c1ccc(OC)c(F)c1)N1CCN(CCCc2ccc3c(n2)NCCC3)C1=O
InChIInChI=1S/C26H33FN4O4/c1-3-35-24(32)17-22(19-9-11-23(34-2)21(27)16-19)31-15-14-30(26(31)33)13-5-7-20-10-8-18-6-4-12-28-25(18)29-20/h8-11,16,22H,3-7,12-15,17H2,1-2H3,(H,28,29)/t22-/m0/s1
InChIKeyXBAODQVZDVXKAT-QFIPXVFZSA-N
XLogP3.95
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate?
The IUPAC name of ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate (CID 10994521) is ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate.
What is the SMILES notation for ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate?
The canonical SMILES for ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate is CCOC(=O)C[C@@H](c1ccc(OC)c(F)c1)N1CCN(CCCc2ccc3c(n2)NCCC3)C1=O.
What is the InChIKey of ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate?
The InChIKey is XBAODQVZDVXKAT-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H33FN4O4/c1-3-35-24(32)17-22(19-9-11-23(34-2)21(27)16-19)31-15-14-30(26(31)33)13-5-7-20-10-8-18-6-4-12-28-25(18)29-20/h8-11,16,22H,3-7,12-15,17H2,1-2H3,(H,28,29)/t22-/m0/s1.
What are the key properties of ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate?
ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate has a molecular weight of 484.57 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate is sourced from PubChem (CID 10994521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).