5-[[3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(2-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);tris(5-[[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one)

C161H141FN24O18 — CID 163532512

IUPAC5-[[3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(2-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);tris(5-[[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one)
SMILESCc1cccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.Cc1cccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.Cc1cccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.Cc1ccccc1-c1cnc(C2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)[nH]1.Cc1ccccc1-c1cnc(C2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)[nH]1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccccc5F)[nH]3)CO4)ccnc2N1
InChIInChI=1S/5C27H24N4O3.C26H21FN4O3/c3*1-16-3-2-4-17(11-16)22-14-29-26(30-22)19-12-18-13-20(5-7-23(18)33-15-19)34-24-9-10-28-27-21(24)6-8-25(32)31-27;2*1-16-4-2-3-5-20(16)22-14-29-26(30-22)18-12-17-13-19(6-8-23(17)33-15-18)34-24-10-11-28-27-21(24)7-9-25(32)31-27;27-20-4-2-1-3-18(20)21-13-29-25(30-21)16-11-15-12-17(5-7-22(15)33-14-16)34-23-9-10-28-26-19(23)6-8-24(32)31-26/h3*2-5,7,9-11,13-14,19H,6,8,12,15H2,1H3,(H,29,30)(H,28,31,32);2*2-6,8,10-11,13-14,18H,7,9,12,15H2,1H3,(H,29,30)(H,28,31,32);1-5,7,9-10,12-13,16H,6,8,11,14H2,(H,29,30)(H,28,31,32)
InChIKeyDUEOSSKWPZSODK-UHFFFAOYSA-N
MW2719.05 g/mol
LogP30.89
Rot. Bonds24

About 5-[[3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(2-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);tris(5-[[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one)

5-[[3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(2-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);tris(5-[[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one) (PubChem CID 163532512) has the molecular formula C161H141FN24O18 and a molecular weight of 2719.05 g/mol. Its IUPAC name is 5-[[3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(2-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);tris(5-[[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one).

Molecular Properties

Compound Name5-[[3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(2-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);tris(5-[[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one)
PubChem CID163532512
Molecular FormulaC161H141FN24O18
Molecular Weight2719.05 g/mol
Exact Mass2717.08
IUPAC Name5-[[3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(2-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);tris(5-[[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one)
SMILESCc1cccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.Cc1cccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.Cc1cccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.Cc1ccccc1-c1cnc(C2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)[nH]1.Cc1ccccc1-c1cnc(C2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)[nH]1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccccc5F)[nH]3)CO4)ccnc2N1
InChIInChI=1S/5C27H24N4O3.C26H21FN4O3/c3*1-16-3-2-4-17(11-16)22-14-29-26(30-22)19-12-18-13-20(5-7-23(18)33-15-19)34-24-9-10-28-27-21(24)6-8-25(32)31-27;2*1-16-4-2-3-5-20(16)22-14-29-26(30-22)18-12-17-13-19(6-8-23(17)33-15-18)34-24-10-11-28-27-21(24)7-9-25(32)31-27;27-20-4-2-1-3-18(20)21-13-29-25(30-21)16-11-15-12-17(5-7-22(15)33-14-16)34-23-9-10-28-26-19(23)6-8-24(32)31-26/h3*2-5,7,9-11,13-14,19H,6,8,12,15H2,1H3,(H,29,30)(H,28,31,32);2*2-6,8,10-11,13-14,18H,7,9,12,15H2,1H3,(H,29,30)(H,28,31,32);1-5,7,9-10,12-13,16H,6,8,11,14H2,(H,29,30)(H,28,31,32)
InChIKeyDUEOSSKWPZSODK-UHFFFAOYSA-N
XLogP30.89
TPSA534.78 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002719.05
LogP ≤ 530.89
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Analyze 5-[[3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(2-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);tris(5-[[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one) with MolForge

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5-[[(1S,1aR,6bR)-1-[3-(2,4-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-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-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-methoxy-3-(trifluoromethyl)phenyl]-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-pyrimidin-4-ylpropyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
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5-[[(1S,1aR,6bR)-1-[4-(2-fluorophenyl)-2-oxobutyl]-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-[4-(2-methylphenyl)-2-oxobutyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[(1S,1aR,6bR)-1-[4-(3-methylphenyl)-2-oxobutyl]-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-4-[4-(trifluoromethyl)phenyl]butyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
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5-[[(1S,1aR,6bR)-1-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-3-fluorophenyl]-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-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-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-[4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-oxobutyl]-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-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 158242952

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(2-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);tris(5-[[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one)?
The IUPAC name of 5-[[3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(2-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);tris(5-[[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one) (CID 163532512) is 5-[[3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(2-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);tris(5-[[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one).
What is the SMILES notation for 5-[[3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(2-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);tris(5-[[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one)?
The canonical SMILES for 5-[[3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(2-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);tris(5-[[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one) is Cc1cccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.Cc1cccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.Cc1cccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.Cc1ccccc1-c1cnc(C2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)[nH]1.Cc1ccccc1-c1cnc(C2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)[nH]1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccccc5F)[nH]3)CO4)ccnc2N1.
What is the InChIKey of 5-[[3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(2-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);tris(5-[[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one)?
The InChIKey is DUEOSSKWPZSODK-UHFFFAOYSA-N. The full InChI is InChI=1S/5C27H24N4O3.C26H21FN4O3/c3*1-16-3-2-4-17(11-16)22-14-29-26(30-22)19-12-18-13-20(5-7-23(18)33-15-19)34-24-9-10-28-27-21(24)6-8-25(32)31-27;2*1-16-4-2-3-5-20(16)22-14-29-26(30-22)18-12-17-13-19(6-8-23(17)33-15-18)34-24-10-11-28-27-21(24)7-9-25(32)31-27;27-20-4-2-1-3-18(20)21-13-29-25(30-21)16-11-15-12-17(5-7-22(15)33-14-16)34-23-9-10-28-26-19(23)6-8-24(32)31-26/h3*2-5,7,9-11,13-14,19H,6,8,12,15H2,1H3,(H,29,30)(H,28,31,32);2*2-6,8,10-11,13-14,18H,7,9,12,15H2,1H3,(H,29,30)(H,28,31,32);1-5,7,9-10,12-13,16H,6,8,11,14H2,(H,29,30)(H,28,31,32).
What are the key properties of 5-[[3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(2-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);tris(5-[[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one)?
5-[[3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(2-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);tris(5-[[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one) has a molecular weight of 2719.05 g/mol, XLogP of 30.89, 24 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(2-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);tris(5-[[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one) is sourced from PubChem (CID 163532512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).