methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate

C24H33FN4O6 — CID 57486907

About methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate

methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate (PubChem CID 57486907) has the molecular formula C24H33FN4O6 and a molecular weight of 492.55 g/mol. Its IUPAC name is methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate.

Molecular Properties

• Compound Name: methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
• PubChem CID: 57486907
• Molecular Formula: C24H33FN4O6
• Molecular Weight: 492.55 g/mol
• Exact Mass: 492.24
• IUPAC Name: methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
• SMILES: COC(=O)C(CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](OC)C1)c1c(F)cnc2ccc(OC)nc12
• InChI: InChI=1S/C24H33FN4O6/c1-24(2,3)35-23(31)27-16-9-10-29(13-18(16)32-4)12-14(22(30)34-6)20-15(25)11-26-17-7-8-19(33-5)28-21(17)20/h7-8,11,14,16,18H,9-10,12-13H2,1-6H3,(H,27,31)/t14?,16-,18+/m0/s1
• InChIKey: RJPDWNZDYWLFIC-RNYWFIABSA-N
• XLogP: 2.65
• TPSA: 112.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.55
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate?

The IUPAC name of methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate (CID 57486907) is methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate.

What is the SMILES notation for methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate?

The canonical SMILES for methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate is COC(=O)C(CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](OC)C1)c1c(F)cnc2ccc(OC)nc12.

What is the InChIKey of methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate?

The InChIKey is RJPDWNZDYWLFIC-RNYWFIABSA-N. The full InChI is InChI=1S/C24H33FN4O6/c1-24(2,3)35-23(31)27-16-9-10-29(13-18(16)32-4)12-14(22(30)34-6)20-15(25)11-26-17-7-8-19(33-5)28-21(17)20/h7-8,11,14,16,18H,9-10,12-13H2,1-6H3,(H,27,31)/t14?,16-,18+/m0/s1.

What are the key properties of methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate?

methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate has a molecular weight of 492.55 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate is sourced from PubChem (CID 57486907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).