[1-[2-[6-[[1-(1-amino-2-oxo-2-phenylmethoxyethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid

C31H35FN4O6 — CID 71152761

IUPAC[1-[2-[6-[[1-(1-amino-2-oxo-2-phenylmethoxyethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
SMILESNC(C(=O)OCc1ccccc1)C1(COc2ccc3ncc(F)c(CCC45CCC(NC(=O)O)(CC4)CO5)c3n2)CC1
InChIInChI=1S/C31H35FN4O6/c32-22-16-34-23-6-7-24(41-18-29(10-11-29)26(33)27(37)40-17-20-4-2-1-3-5-20)35-25(23)21(22)8-9-31-14-12-30(13-15-31,19-42-31)36-28(38)39/h1-7,16,26,36H,8-15,17-19,33H2,(H,38,39)
InChIKeyKSMPOBAHUULOBO-UHFFFAOYSA-N
MW578.64 g/mol
LogP4.28
Rot. Bonds11

About [1-[2-[6-[[1-(1-amino-2-oxo-2-phenylmethoxyethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid

[1-[2-[6-[[1-(1-amino-2-oxo-2-phenylmethoxyethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid (PubChem CID 71152761) has the molecular formula C31H35FN4O6 and a molecular weight of 578.64 g/mol. Its IUPAC name is [1-[2-[6-[[1-(1-amino-2-oxo-2-phenylmethoxyethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-[6-[[1-(1-amino-2-oxo-2-phenylmethoxyethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
PubChem CID71152761
Molecular FormulaC31H35FN4O6
Molecular Weight578.64 g/mol
Exact Mass578.25
IUPAC Name[1-[2-[6-[[1-(1-amino-2-oxo-2-phenylmethoxyethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
SMILESNC(C(=O)OCc1ccccc1)C1(COc2ccc3ncc(F)c(CCC45CCC(NC(=O)O)(CC4)CO5)c3n2)CC1
InChIInChI=1S/C31H35FN4O6/c32-22-16-34-23-6-7-24(41-18-29(10-11-29)26(33)27(37)40-17-20-4-2-1-3-5-20)35-25(23)21(22)8-9-31-14-12-30(13-15-31,19-42-31)36-28(38)39/h1-7,16,26,36H,8-15,17-19,33H2,(H,38,39)
InChIKeyKSMPOBAHUULOBO-UHFFFAOYSA-N
XLogP4.28
TPSA145.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.64
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [1-[2-[6-[[1-(1-amino-2-oxo-2-phenylmethoxyethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[6-[[1-(1-amino-2-oxo-2-phenylmethoxyethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The IUPAC name of [1-[2-[6-[[1-(1-amino-2-oxo-2-phenylmethoxyethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid (CID 71152761) is [1-[2-[6-[[1-(1-amino-2-oxo-2-phenylmethoxyethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-[6-[[1-(1-amino-2-oxo-2-phenylmethoxyethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The canonical SMILES for [1-[2-[6-[[1-(1-amino-2-oxo-2-phenylmethoxyethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid is NC(C(=O)OCc1ccccc1)C1(COc2ccc3ncc(F)c(CCC45CCC(NC(=O)O)(CC4)CO5)c3n2)CC1.
What is the InChIKey of [1-[2-[6-[[1-(1-amino-2-oxo-2-phenylmethoxyethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The InChIKey is KSMPOBAHUULOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN4O6/c32-22-16-34-23-6-7-24(41-18-29(10-11-29)26(33)27(37)40-17-20-4-2-1-3-5-20)35-25(23)21(22)8-9-31-14-12-30(13-15-31,19-42-31)36-28(38)39/h1-7,16,26,36H,8-15,17-19,33H2,(H,38,39).
What are the key properties of [1-[2-[6-[[1-(1-amino-2-oxo-2-phenylmethoxyethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
[1-[2-[6-[[1-(1-amino-2-oxo-2-phenylmethoxyethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid has a molecular weight of 578.64 g/mol, XLogP of 4.28, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[6-[[1-(1-amino-2-oxo-2-phenylmethoxyethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid is sourced from PubChem (CID 71152761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).