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

C23H31FN4O5 — CID 57423112

IUPACmethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
SMILESCOC(=O)C(CN1CCC(NC(=O)OC(C)(C)C)CC1)c1c(F)cnc2ccc(OC)nc12
InChIInChI=1S/C23H31FN4O5/c1-23(2,3)33-22(30)26-14-8-10-28(11-9-14)13-15(21(29)32-5)19-16(24)12-25-17-6-7-18(31-4)27-20(17)19/h6-7,12,14-15H,8-11,13H2,1-5H3,(H,26,30)
InChIKeyQJNZHYDOYOGKDS-UHFFFAOYSA-N
MW462.52 g/mol
LogP3.02
Rot. Bonds6

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

methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate (PubChem CID 57423112) has the molecular formula C23H31FN4O5 and a molecular weight of 462.52 g/mol. Its IUPAC name is methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
PubChem CID57423112
Molecular FormulaC23H31FN4O5
Molecular Weight462.52 g/mol
Exact Mass462.23
IUPAC Namemethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
SMILESCOC(=O)C(CN1CCC(NC(=O)OC(C)(C)C)CC1)c1c(F)cnc2ccc(OC)nc12
InChIInChI=1S/C23H31FN4O5/c1-23(2,3)33-22(30)26-14-8-10-28(11-9-14)13-15(21(29)32-5)19-16(24)12-25-17-6-7-18(31-4)27-20(17)19/h6-7,12,14-15H,8-11,13H2,1-5H3,(H,26,30)
InChIKeyQJNZHYDOYOGKDS-UHFFFAOYSA-N
XLogP3.02
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-[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-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate (CID 57423112) is methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[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-[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-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate is COC(=O)C(CN1CCC(NC(=O)OC(C)(C)C)CC1)c1c(F)cnc2ccc(OC)nc12.
What is the InChIKey of methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate?
The InChIKey is QJNZHYDOYOGKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O5/c1-23(2,3)33-22(30)26-14-8-10-28(11-9-14)13-15(21(29)32-5)19-16(24)12-25-17-6-7-18(31-4)27-20(17)19/h6-7,12,14-15H,8-11,13H2,1-5H3,(H,26,30).
What are the key properties of methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate?
methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate has a molecular weight of 462.52 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate is sourced from PubChem (CID 57423112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).