5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C29H26N2O4 — CID 152874658

IUPAC5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C(C[C@@H]1CCc2ccccc21)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12
InChIInChI=1S/C29H26N2O4/c32-18(13-17-6-5-16-3-1-2-4-20(16)17)14-23-27-22-15-19(7-9-24(22)35-28(23)27)34-25-11-12-30-29-21(25)8-10-26(33)31-29/h1-4,7,9,11-12,15,17,23,27-28H,5-6,8,10,13-14H2,(H,30,31,33)/t17-,23-,27-,28+/m0/s1
InChIKeyUABYBBCOMZVIHJ-JBSSAMIISA-N
MW466.54 g/mol
LogP5.31
Rot. Bonds6

About 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 152874658) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID152874658
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC Name5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C(C[C@@H]1CCc2ccccc21)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12
InChIInChI=1S/C29H26N2O4/c32-18(13-17-6-5-16-3-1-2-4-20(16)17)14-23-27-22-15-19(7-9-24(22)35-28(23)27)34-25-11-12-30-29-21(25)8-10-26(33)31-29/h1-4,7,9,11-12,15,17,23,27-28H,5-6,8,10,13-14H2,(H,30,31,33)/t17-,23-,27-,28+/m0/s1
InChIKeyUABYBBCOMZVIHJ-JBSSAMIISA-N
XLogP5.31
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

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Related Compounds

5-[[(1S,1aR,6bR)-1-[3-(2-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 147942263
5-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 153185242
5-[[(1S,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 165088600
5-[[(1S,1aR)-1-[3-(2-methoxy-4-pyridinyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 158796698
5-[[(1S,1aR,6bR)-1-[3-(3-fluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 157053232
5-[[(1S,1aR,6bR)-1-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 159835580
5-[[(1S,1aR,6bR)-1-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 149444267
ethyl (1R,1aS,6bS)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate
CID 140919947
5-[[(1S,1aR,6bR)-1-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 157226029
5-[[(1S,1aR,6bR)-1-(3-cycloheptyl-2-oxopropyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-(3-cyclopentyl-2-oxopropyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[3-(4-methoxyphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 157333755
5-[[(1S,1aR,6bR)-1-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 148918626
5-[[(1S,1aR,6bR)-1-[3-(2,3-difluorophenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[3-(2,5-difluorophenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[3-(2,6-difluorophenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[3-(3,4-difluorophenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,3,4-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 157437925

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 152874658) is 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C(C[C@@H]1CCc2ccccc21)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.
What is the InChIKey of 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is UABYBBCOMZVIHJ-JBSSAMIISA-N. The full InChI is InChI=1S/C29H26N2O4/c32-18(13-17-6-5-16-3-1-2-4-20(16)17)14-23-27-22-15-19(7-9-24(22)35-28(23)27)34-25-11-12-30-29-21(25)8-10-26(33)31-29/h1-4,7,9,11-12,15,17,23,27-28H,5-6,8,10,13-14H2,(H,30,31,33)/t17-,23-,27-,28+/m0/s1.
What are the key properties of 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 466.54 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 152874658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).