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

C23H31FN4O6 — CID 57450416

IUPACmethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]propanoate
SMILESCOC(=O)C(CN1CCO[C@H](CNC(=O)OC(C)(C)C)C1)c1c(F)cnc2ccc(OC)nc12
InChIInChI=1S/C23H31FN4O6/c1-23(2,3)34-22(30)26-10-14-12-28(8-9-33-14)13-15(21(29)32-5)19-16(24)11-25-17-6-7-18(31-4)27-20(17)19/h6-7,11,14-15H,8-10,12-13H2,1-5H3,(H,26,30)/t14-,15?/m1/s1
InChIKeyYCGRCNMOTNKQFF-GICMACPYSA-N
MW478.52 g/mol
LogP2.26
Rot. Bonds7

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

methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]propanoate (PubChem CID 57450416) has the molecular formula C23H31FN4O6 and a molecular weight of 478.52 g/mol. Its IUPAC name is methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]propanoate
PubChem CID57450416
Molecular FormulaC23H31FN4O6
Molecular Weight478.52 g/mol
Exact Mass478.22
IUPAC Namemethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]propanoate
SMILESCOC(=O)C(CN1CCO[C@H](CNC(=O)OC(C)(C)C)C1)c1c(F)cnc2ccc(OC)nc12
InChIInChI=1S/C23H31FN4O6/c1-23(2,3)34-22(30)26-10-14-12-28(8-9-33-14)13-15(21(29)32-5)19-16(24)11-25-17-6-7-18(31-4)27-20(17)19/h6-7,11,14-15H,8-10,12-13H2,1-5H3,(H,26,30)/t14-,15?/m1/s1
InChIKeyYCGRCNMOTNKQFF-GICMACPYSA-N
XLogP2.26
TPSA112.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]propanoate?
The IUPAC name of methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]propanoate (CID 57450416) is methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]propanoate.
What is the SMILES notation for methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]propanoate?
The canonical SMILES for methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]propanoate is COC(=O)C(CN1CCO[C@H](CNC(=O)OC(C)(C)C)C1)c1c(F)cnc2ccc(OC)nc12.
What is the InChIKey of methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]propanoate?
The InChIKey is YCGRCNMOTNKQFF-GICMACPYSA-N. The full InChI is InChI=1S/C23H31FN4O6/c1-23(2,3)34-22(30)26-10-14-12-28(8-9-33-14)13-15(21(29)32-5)19-16(24)11-25-17-6-7-18(31-4)27-20(17)19/h6-7,11,14-15H,8-10,12-13H2,1-5H3,(H,26,30)/t14-,15?/m1/s1.
What are the key properties of methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]propanoate?
methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]propanoate has a molecular weight of 478.52 g/mol, XLogP of 2.26, 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-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]propanoate is sourced from PubChem (CID 57450416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).