5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-phenyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(3-phenyl-1,2,4-oxadiazol-5-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C153H113ClF3N25O19 — CID 159269436

IUPAC5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-phenyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(3-phenyl-1,2,4-oxadiazol-5-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc(-c4ccccc4)no3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccc(-c5ccccc5)cc4[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3ncc(-c4ccccc4)[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3ncc(-c4ccccc4Cl)[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3ncc(-c4ccncc4)[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3ncc(C(F)(F)F)[nH]3)ccnc2N1
InChIInChI=1S/C30H22N4O3.C26H19ClN4O3.C26H20N4O3.C25H19N5O3.C25H18N4O4.C21H15F3N4O3/c35-25-11-8-19-24(12-13-31-29(19)34-25)36-18-7-10-23-20(15-18)26-27(28(26)37-23)30-32-21-9-6-17(14-22(21)33-30)16-4-2-1-3-5-16;27-17-4-2-1-3-14(17)18-12-29-26(30-18)23-22-16-11-13(5-7-19(16)34-24(22)23)33-20-9-10-28-25-15(20)6-8-21(32)31-25;31-21-9-7-16-20(10-11-27-25(16)30-21)32-15-6-8-19-17(12-15)22-23(24(22)33-19)26-28-13-18(29-26)14-4-2-1-3-5-14;31-20-4-2-15-19(7-10-27-24(15)30-20)32-14-1-3-18-16(11-14)21-22(23(21)33-18)25-28-12-17(29-25)13-5-8-26-9-6-13;30-19-9-7-15-18(10-11-26-24(15)27-19)31-14-6-8-17-16(12-14)20-21(22(20)32-17)25-28-23(29-33-25)13-4-2-1-3-5-13;22-21(23,24)14-8-26-20(27-14)17-16-11-7-9(1-3-12(11)31-18(16)17)30-13-5-6-25-19-10(13)2-4-15(29)28-19/h1-7,9-10,12-15,26-28H,8,11H2,(H,32,33)(H,31,34,35);1-5,7,9-12,22-24H,6,8H2,(H,29,30)(H,28,31,32);1-6,8,10-13,22-24H,7,9H2,(H,28,29)(H,27,30,31);1,3,5-12,21-23H,2,4H2,(H,28,29)(H,27,30,31);1-6,8,10-12,20-22H,7,9H2,(H,26,27,30);1,3,5-8,16-18H,2,4H2,(H,26,27)(H,25,28,29)
InChIKeyKXNBPFSQVAZPHF-UHFFFAOYSA-N
MW2698.19 g/mol
LogP28.96
Rot. Bonds23

About 5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-phenyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(3-phenyl-1,2,4-oxadiazol-5-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-phenyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(3-phenyl-1,2,4-oxadiazol-5-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 159269436) has the molecular formula C153H113ClF3N25O19 and a molecular weight of 2698.19 g/mol. Its IUPAC name is 5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-phenyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(3-phenyl-1,2,4-oxadiazol-5-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-phenyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(3-phenyl-1,2,4-oxadiazol-5-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID159269436
Molecular FormulaC153H113ClF3N25O19
Molecular Weight2698.19 g/mol
Exact Mass2695.83
IUPAC Name5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-phenyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(3-phenyl-1,2,4-oxadiazol-5-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc(-c4ccccc4)no3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccc(-c5ccccc5)cc4[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3ncc(-c4ccccc4)[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3ncc(-c4ccccc4Cl)[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3ncc(-c4ccncc4)[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3ncc(C(F)(F)F)[nH]3)ccnc2N1
InChIInChI=1S/C30H22N4O3.C26H19ClN4O3.C26H20N4O3.C25H19N5O3.C25H18N4O4.C21H15F3N4O3/c35-25-11-8-19-24(12-13-31-29(19)34-25)36-18-7-10-23-20(15-18)26-27(28(26)37-23)30-32-21-9-6-17(14-22(21)33-30)16-4-2-1-3-5-16;27-17-4-2-1-3-14(17)18-12-29-26(30-18)23-22-16-11-13(5-7-19(16)34-24(22)23)33-20-9-10-28-25-15(20)6-8-21(32)31-25;31-21-9-7-16-20(10-11-27-25(16)30-21)32-15-6-8-19-17(12-15)22-23(24(22)33-19)26-28-13-18(29-26)14-4-2-1-3-5-14;31-20-4-2-15-19(7-10-27-24(15)30-20)32-14-1-3-18-16(11-14)21-22(23(21)33-18)25-28-12-17(29-25)13-5-8-26-9-6-13;30-19-9-7-15-18(10-11-26-24(15)27-19)31-14-6-8-17-16(12-14)20-21(22(20)32-17)25-28-23(29-33-25)13-4-2-1-3-5-13;22-21(23,24)14-8-26-20(27-14)17-16-11-7-9(1-3-12(11)31-18(16)17)30-13-5-6-25-19-10(13)2-4-15(29)28-19/h1-7,9-10,12-15,26-28H,8,11H2,(H,32,33)(H,31,34,35);1-5,7,9-12,22-24H,6,8H2,(H,29,30)(H,28,31,32);1-6,8,10-13,22-24H,7,9H2,(H,28,29)(H,27,30,31);1,3,5-12,21-23H,2,4H2,(H,28,29)(H,27,30,31);1-6,8,10-12,20-22H,7,9H2,(H,26,27,30);1,3,5-8,16-18H,2,4H2,(H,26,27)(H,25,28,29)
InChIKeyKXNBPFSQVAZPHF-UHFFFAOYSA-N
XLogP28.96
TPSA557.91 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds23
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002698.19
LogP ≤ 528.96
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Analyze 5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-phenyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(3-phenyl-1,2,4-oxadiazol-5-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-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-[[1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71620742
6-chloro-5-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71621690
5-[[1-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71622801
5-[[(1R,1aS,6bR)-1-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 89670232
5-[[(1S,1aR,6bS)-1-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 89670233
5-[[(1aR,6bS)-1-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 124081235
5-[[(1aS,6bR)-1-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
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Lifirafenib Maleate
CID 135395339
5-[[1-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-1,4-dihydro-1,8-naphthyridine-2,3-dione
CID 126506998
5-[[(1aS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-6-chloro-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 126517717
5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-chloro-6-(trifluoromethyl)-1H-benzimidazole
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bis(5-[[(1R,1aS,6bR)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);tris((E)-but-2-enedioic acid)
CID 145994346

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-phenyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(3-phenyl-1,2,4-oxadiazol-5-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-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-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-phenyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(3-phenyl-1,2,4-oxadiazol-5-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 159269436) is 5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-phenyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(3-phenyl-1,2,4-oxadiazol-5-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-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-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-phenyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(3-phenyl-1,2,4-oxadiazol-5-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-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-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-phenyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(3-phenyl-1,2,4-oxadiazol-5-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc(-c4ccccc4)no3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccc(-c5ccccc5)cc4[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3ncc(-c4ccccc4)[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3ncc(-c4ccccc4Cl)[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3ncc(-c4ccncc4)[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3ncc(C(F)(F)F)[nH]3)ccnc2N1.
What is the InChIKey of 5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-phenyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(3-phenyl-1,2,4-oxadiazol-5-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is KXNBPFSQVAZPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O3.C26H19ClN4O3.C26H20N4O3.C25H19N5O3.C25H18N4O4.C21H15F3N4O3/c35-25-11-8-19-24(12-13-31-29(19)34-25)36-18-7-10-23-20(15-18)26-27(28(26)37-23)30-32-21-9-6-17(14-22(21)33-30)16-4-2-1-3-5-16;27-17-4-2-1-3-14(17)18-12-29-26(30-18)23-22-16-11-13(5-7-19(16)34-24(22)23)33-20-9-10-28-25-15(20)6-8-21(32)31-25;31-21-9-7-16-20(10-11-27-25(16)30-21)32-15-6-8-19-17(12-15)22-23(24(22)33-19)26-28-13-18(29-26)14-4-2-1-3-5-14;31-20-4-2-15-19(7-10-27-24(15)30-20)32-14-1-3-18-16(11-14)21-22(23(21)33-18)25-28-12-17(29-25)13-5-8-26-9-6-13;30-19-9-7-15-18(10-11-26-24(15)27-19)31-14-6-8-17-16(12-14)20-21(22(20)32-17)25-28-23(29-33-25)13-4-2-1-3-5-13;22-21(23,24)14-8-26-20(27-14)17-16-11-7-9(1-3-12(11)31-18(16)17)30-13-5-6-25-19-10(13)2-4-15(29)28-19/h1-7,9-10,12-15,26-28H,8,11H2,(H,32,33)(H,31,34,35);1-5,7,9-12,22-24H,6,8H2,(H,29,30)(H,28,31,32);1-6,8,10-13,22-24H,7,9H2,(H,28,29)(H,27,30,31);1,3,5-12,21-23H,2,4H2,(H,28,29)(H,27,30,31);1-6,8,10-12,20-22H,7,9H2,(H,26,27,30);1,3,5-8,16-18H,2,4H2,(H,26,27)(H,25,28,29).
What are the key properties of 5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-phenyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(3-phenyl-1,2,4-oxadiazol-5-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-phenyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(3-phenyl-1,2,4-oxadiazol-5-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-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 2698.19 g/mol, XLogP of 28.96, 23 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-phenyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(3-phenyl-1,2,4-oxadiazol-5-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-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 159269436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).