5-[[1-(5-chloro-6-methyl-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-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;5-[[1-(5-fluoro-6-methyl-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-(6-methyl-1H-benzimidazol-2-yl)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C126H96Cl2F4N20O14 — CID 158022830

IUPAC5-[[1-(5-chloro-6-methyl-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-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;5-[[1-(5-fluoro-6-methyl-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-(6-methyl-1H-benzimidazol-2-yl)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCc1cc2[nH]c(C3C4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5C43)nc2cc1Cl.Cc1cc2[nH]c(C3C4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5C43)nc2cc1F.Cc1ccc2nc(C3C4Cc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5C43)[nH]c2c1.Cc1ccc2nc(C3C4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5C43)[nH]c2c1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)ccnc2N1
InChIInChI=1S/C26H22N4O2.C25H16ClF3N4O3.C25H19ClN4O3.C25H19FN4O3.C25H20N4O3/c1-13-2-6-19-20(10-13)29-26(28-19)24-18-11-14-3-4-15(12-17(14)23(18)24)32-21-8-9-27-25-16(21)5-7-22(31)30-25;26-14-9-16-15(8-13(14)25(27,28)29)31-24(32-16)21-20-12-7-10(1-3-17(12)36-22(20)21)35-18-5-6-30-23-11(18)2-4-19(34)33-23;2*1-11-8-16-17(10-15(11)26)29-25(28-16)22-21-14-9-12(2-4-18(14)33-23(21)22)32-19-6-7-27-24-13(19)3-5-20(31)30-24;1-12-2-5-16-17(10-12)28-25(27-16)22-21-15-11-13(3-6-18(15)32-23(21)22)31-19-8-9-26-24-14(19)4-7-20(30)29-24/h2-4,6,8-10,12,18,23-24H,5,7,11H2,1H3,(H,28,29)(H,27,30,31);1,3,5-9,20-22H,2,4H2,(H,31,32)(H,30,33,34);2*2,4,6-10,21-23H,3,5H2,1H3,(H,28,29)(H,27,30,31);2-3,5-6,8-11,21-23H,4,7H2,1H3,(H,27,28)(H,26,29,30)
InChIKeyFGGJDQAOKIUKGL-UHFFFAOYSA-N
MW2261.18 g/mol
LogP25.49
Rot. Bonds15

About 5-[[1-(5-chloro-6-methyl-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-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;5-[[1-(5-fluoro-6-methyl-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-(6-methyl-1H-benzimidazol-2-yl)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-methyl-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-chloro-6-methyl-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-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;5-[[1-(5-fluoro-6-methyl-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-(6-methyl-1H-benzimidazol-2-yl)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 158022830) has the molecular formula C126H96Cl2F4N20O14 and a molecular weight of 2261.18 g/mol. Its IUPAC name is 5-[[1-(5-chloro-6-methyl-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-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;5-[[1-(5-fluoro-6-methyl-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-(6-methyl-1H-benzimidazol-2-yl)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-methyl-1H-benzimidazol-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-chloro-6-methyl-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-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;5-[[1-(5-fluoro-6-methyl-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-(6-methyl-1H-benzimidazol-2-yl)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID158022830
Molecular FormulaC126H96Cl2F4N20O14
Molecular Weight2261.18 g/mol
Exact Mass2258.67
IUPAC Name5-[[1-(5-chloro-6-methyl-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-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;5-[[1-(5-fluoro-6-methyl-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-(6-methyl-1H-benzimidazol-2-yl)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCc1cc2[nH]c(C3C4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5C43)nc2cc1Cl.Cc1cc2[nH]c(C3C4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5C43)nc2cc1F.Cc1ccc2nc(C3C4Cc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5C43)[nH]c2c1.Cc1ccc2nc(C3C4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5C43)[nH]c2c1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)ccnc2N1
InChIInChI=1S/C26H22N4O2.C25H16ClF3N4O3.C25H19ClN4O3.C25H19FN4O3.C25H20N4O3/c1-13-2-6-19-20(10-13)29-26(28-19)24-18-11-14-3-4-15(12-17(14)23(18)24)32-21-8-9-27-25-16(21)5-7-22(31)30-25;26-14-9-16-15(8-13(14)25(27,28)29)31-24(32-16)21-20-12-7-10(1-3-17(12)36-22(20)21)35-18-5-6-30-23-11(18)2-4-19(34)33-23;2*1-11-8-16-17(10-15(11)26)29-25(28-16)22-21-14-9-12(2-4-18(14)33-23(21)22)32-19-6-7-27-24-13(19)3-5-20(31)30-24;1-12-2-5-16-17(10-12)28-25(27-16)22-21-15-11-13(3-6-18(15)32-23(21)22)31-19-8-9-26-24-14(19)4-7-20(30)29-24/h2-4,6,8-10,12,18,23-24H,5,7,11H2,1H3,(H,28,29)(H,27,30,31);1,3,5-9,20-22H,2,4H2,(H,31,32)(H,30,33,34);2*2,4,6-10,21-23H,3,5H2,1H3,(H,28,29)(H,27,30,31);2-3,5-6,8-11,21-23H,4,7H2,1H3,(H,27,28)(H,26,29,30)
InChIKeyFGGJDQAOKIUKGL-UHFFFAOYSA-N
XLogP25.49
TPSA436.42 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002261.18
LogP ≤ 525.49
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Analyze 5-[[1-(5-chloro-6-methyl-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-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;5-[[1-(5-fluoro-6-methyl-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-(6-methyl-1H-benzimidazol-2-yl)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-methyl-1H-benzimidazol-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-[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
CID 124081236
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-(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
CID 145601587
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
5-[[6b-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,1a-dihydrocyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 148630628
5-[[4-chloro-1-(5-fluoro-6-methyl-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-[[4-chloro-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;5-[[3-methyl-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;N-methyl-4-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide;2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-6-(trifluoromethyl)-1H-benzimidazole;2-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole
CID 157144535
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;5-[[1-(5,6-dichloro-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-(6-fluoro-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-fluoro-6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2-[5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3H-benzimidazole-5-carbonitrile
CID 157407632

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(5-chloro-6-methyl-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-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;5-[[1-(5-fluoro-6-methyl-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-(6-methyl-1H-benzimidazol-2-yl)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-methyl-1H-benzimidazol-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-chloro-6-methyl-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-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;5-[[1-(5-fluoro-6-methyl-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-(6-methyl-1H-benzimidazol-2-yl)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-methyl-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 158022830) is 5-[[1-(5-chloro-6-methyl-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-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;5-[[1-(5-fluoro-6-methyl-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-(6-methyl-1H-benzimidazol-2-yl)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-methyl-1H-benzimidazol-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-chloro-6-methyl-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-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;5-[[1-(5-fluoro-6-methyl-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-(6-methyl-1H-benzimidazol-2-yl)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-methyl-1H-benzimidazol-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-chloro-6-methyl-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-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;5-[[1-(5-fluoro-6-methyl-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-(6-methyl-1H-benzimidazol-2-yl)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is Cc1cc2[nH]c(C3C4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5C43)nc2cc1Cl.Cc1cc2[nH]c(C3C4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5C43)nc2cc1F.Cc1ccc2nc(C3C4Cc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5C43)[nH]c2c1.Cc1ccc2nc(C3C4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5C43)[nH]c2c1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)ccnc2N1.
What is the InChIKey of 5-[[1-(5-chloro-6-methyl-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-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;5-[[1-(5-fluoro-6-methyl-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-(6-methyl-1H-benzimidazol-2-yl)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-methyl-1H-benzimidazol-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 FGGJDQAOKIUKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2.C25H16ClF3N4O3.C25H19ClN4O3.C25H19FN4O3.C25H20N4O3/c1-13-2-6-19-20(10-13)29-26(28-19)24-18-11-14-3-4-15(12-17(14)23(18)24)32-21-8-9-27-25-16(21)5-7-22(31)30-25;26-14-9-16-15(8-13(14)25(27,28)29)31-24(32-16)21-20-12-7-10(1-3-17(12)36-22(20)21)35-18-5-6-30-23-11(18)2-4-19(34)33-23;2*1-11-8-16-17(10-15(11)26)29-25(28-16)22-21-14-9-12(2-4-18(14)33-23(21)22)32-19-6-7-27-24-13(19)3-5-20(31)30-24;1-12-2-5-16-17(10-12)28-25(27-16)22-21-15-11-13(3-6-18(15)32-23(21)22)31-19-8-9-26-24-14(19)4-7-20(30)29-24/h2-4,6,8-10,12,18,23-24H,5,7,11H2,1H3,(H,28,29)(H,27,30,31);1,3,5-9,20-22H,2,4H2,(H,31,32)(H,30,33,34);2*2,4,6-10,21-23H,3,5H2,1H3,(H,28,29)(H,27,30,31);2-3,5-6,8-11,21-23H,4,7H2,1H3,(H,27,28)(H,26,29,30).
What are the key properties of 5-[[1-(5-chloro-6-methyl-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-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;5-[[1-(5-fluoro-6-methyl-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-(6-methyl-1H-benzimidazol-2-yl)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-methyl-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-chloro-6-methyl-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-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;5-[[1-(5-fluoro-6-methyl-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-(6-methyl-1H-benzimidazol-2-yl)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-methyl-1H-benzimidazol-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 2261.18 g/mol, XLogP of 25.49, 15 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(5-chloro-6-methyl-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-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;5-[[1-(5-fluoro-6-methyl-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-(6-methyl-1H-benzimidazol-2-yl)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-methyl-1H-benzimidazol-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 158022830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).