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

C25H33N5O4 — CID 54261911

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

ethyl (3S)-3-(5-methoxy-3-pyridinyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate (PubChem CID 54261911) has the molecular formula C25H33N5O4 and a molecular weight of 467.57 g/mol. Its IUPAC name is ethyl (3S)-3-(5-methoxy-3-pyridinyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate.

Molecular Properties

• Compound Name: ethyl (3S)-3-(5-methoxy-3-pyridinyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate
• PubChem CID: 54261911
• Molecular Formula: C25H33N5O4
• Molecular Weight: 467.57 g/mol
• Exact Mass: 467.25
• IUPAC Name: ethyl (3S)-3-(5-methoxy-3-pyridinyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate
• SMILES: CCOC(=O)C[C@@H](c1cncc(OC)c1)N1CCN(CCCc2ccc3c(n2)NCCC3)C1=O
• InChI: InChI=1S/C25H33N5O4/c1-3-34-23(31)15-22(19-14-21(33-2)17-26-16-19)30-13-12-29(25(30)32)11-5-7-20-9-8-18-6-4-10-27-24(18)28-20/h8-9,14,16-17,22H,3-7,10-13,15H2,1-2H3,(H,27,28)/t22-/m0/s1
• InChIKey: RECQIALVZWMZEN-QFIPXVFZSA-N
• XLogP: 3.21
• TPSA: 96.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.57
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-(5-methoxy-3-pyridinyl)-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-(5-methoxy-3-pyridinyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate (CID 54261911) is ethyl (3S)-3-(5-methoxy-3-pyridinyl)-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-(5-methoxy-3-pyridinyl)-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-(5-methoxy-3-pyridinyl)-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](c1cncc(OC)c1)N1CCN(CCCc2ccc3c(n2)NCCC3)C1=O.

What is the InChIKey of ethyl (3S)-3-(5-methoxy-3-pyridinyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate?

The InChIKey is RECQIALVZWMZEN-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H33N5O4/c1-3-34-23(31)15-22(19-14-21(33-2)17-26-16-19)30-13-12-29(25(30)32)11-5-7-20-9-8-18-6-4-10-27-24(18)28-20/h8-9,14,16-17,22H,3-7,10-13,15H2,1-2H3,(H,27,28)/t22-/m0/s1.

What are the key properties of ethyl (3S)-3-(5-methoxy-3-pyridinyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoate?

ethyl (3S)-3-(5-methoxy-3-pyridinyl)-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 467.57 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (3S)-3-(5-methoxy-3-pyridinyl)-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 54261911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).