2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(1-methoxypropan-2-ylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]ethylcarbamic acid

C23H25FN4O6 — CID 90387890

IUPAC2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(1-methoxypropan-2-ylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]ethylcarbamic acid
SMILESCOCC(C)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCNC(=O)O)c1=O
InChIInChI=1S/C23H25FN4O6/c1-13(12-34-2)27-21(30)18-20(29)19-17(28(22(18)31)8-7-25-23(32)33)10-15(11-26-19)9-14-3-5-16(24)6-4-14/h3-6,10-11,13,25,29H,7-9,12H2,1-2H3,(H,27,30)(H,32,33)
InChIKeyZVVDZHFCUJLTCX-UHFFFAOYSA-N
MW472.47 g/mol
LogP1.86
Rot. Bonds9

About 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(1-methoxypropan-2-ylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]ethylcarbamic acid

2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(1-methoxypropan-2-ylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]ethylcarbamic acid (PubChem CID 90387890) has the molecular formula C23H25FN4O6 and a molecular weight of 472.47 g/mol. Its IUPAC name is 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(1-methoxypropan-2-ylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(1-methoxypropan-2-ylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]ethylcarbamic acid
PubChem CID90387890
Molecular FormulaC23H25FN4O6
Molecular Weight472.47 g/mol
Exact Mass472.18
IUPAC Name2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(1-methoxypropan-2-ylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]ethylcarbamic acid
SMILESCOCC(C)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCNC(=O)O)c1=O
InChIInChI=1S/C23H25FN4O6/c1-13(12-34-2)27-21(30)18-20(29)19-17(28(22(18)31)8-7-25-23(32)33)10-15(11-26-19)9-14-3-5-16(24)6-4-14/h3-6,10-11,13,25,29H,7-9,12H2,1-2H3,(H,27,30)(H,32,33)
InChIKeyZVVDZHFCUJLTCX-UHFFFAOYSA-N
XLogP1.86
TPSA142.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(1-methoxypropan-2-ylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]ethylcarbamic acid?
The IUPAC name of 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(1-methoxypropan-2-ylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]ethylcarbamic acid (CID 90387890) is 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(1-methoxypropan-2-ylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(1-methoxypropan-2-ylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]ethylcarbamic acid?
The canonical SMILES for 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(1-methoxypropan-2-ylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]ethylcarbamic acid is COCC(C)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCNC(=O)O)c1=O.
What is the InChIKey of 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(1-methoxypropan-2-ylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]ethylcarbamic acid?
The InChIKey is ZVVDZHFCUJLTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O6/c1-13(12-34-2)27-21(30)18-20(29)19-17(28(22(18)31)8-7-25-23(32)33)10-15(11-26-19)9-14-3-5-16(24)6-4-14/h3-6,10-11,13,25,29H,7-9,12H2,1-2H3,(H,27,30)(H,32,33).
What are the key properties of 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(1-methoxypropan-2-ylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]ethylcarbamic acid?
2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(1-methoxypropan-2-ylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]ethylcarbamic acid has a molecular weight of 472.47 g/mol, XLogP of 1.86, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(1-methoxypropan-2-ylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]ethylcarbamic acid is sourced from PubChem (CID 90387890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).