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;5-[[1-(5,6-difluoro-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-(3H-imidazo[4,5-c]pyridin-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)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C121H86ClF6N21O15 — CID 158666033

IUPAC5-[[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;5-[[1-(5,6-difluoro-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-(3H-imidazo[4,5-c]pyridin-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)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCc1ccc2nc(C3C4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5C43)[nH]c2c1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4cc(F)c(F)cc4[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccc(F)cc4[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccncc4[nH]3)ccnc2N1
InChIInChI=1S/C25H16ClF3N4O3.C25H20N4O3.C24H16F2N4O3.C24H17FN4O3.C23H17N5O3/c26-14-7-10(25(27,28)29)8-15-21(14)33-24(31-15)20-19-13-9-11(1-3-16(13)36-22(19)20)35-17-5-6-30-23-12(17)2-4-18(34)32-23;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;25-13-8-15-16(9-14(13)26)29-24(28-15)21-20-12-7-10(1-3-17(12)33-22(20)21)32-18-5-6-27-23-11(18)2-4-19(31)30-23;25-11-1-4-15-16(9-11)28-24(27-15)21-20-14-10-12(2-5-17(14)32-22(20)21)31-18-7-8-26-23-13(18)3-6-19(30)29-23;29-18-4-2-12-17(6-8-25-22(12)28-18)30-11-1-3-16-13(9-11)19-20(21(19)31-16)23-26-14-5-7-24-10-15(14)27-23/h1,3,5-9,19-20,22H,2,4H2,(H,31,33)(H,30,32,34);2-3,5-6,8-11,21-23H,4,7H2,1H3,(H,27,28)(H,26,29,30);1,3,5-9,20-22H,2,4H2,(H,28,29)(H,27,30,31);1-2,4-5,7-10,20-22H,3,6H2,(H,27,28)(H,26,29,30);1,3,5-10,19-21H,2,4H2,(H,26,27)(H,25,28,29)
InChIKeyIDJCAWKBUJNRJD-UHFFFAOYSA-N
MW2223.59 g/mol
LogP23.18
Rot. Bonds15

About 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;5-[[1-(5,6-difluoro-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-(3H-imidazo[4,5-c]pyridin-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)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

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;5-[[1-(5,6-difluoro-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-(3H-imidazo[4,5-c]pyridin-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)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 158666033) has the molecular formula C121H86ClF6N21O15 and a molecular weight of 2223.59 g/mol. Its IUPAC name is 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;5-[[1-(5,6-difluoro-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-(3H-imidazo[4,5-c]pyridin-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)-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-[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;5-[[1-(5,6-difluoro-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-(3H-imidazo[4,5-c]pyridin-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)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID158666033
Molecular FormulaC121H86ClF6N21O15
Molecular Weight2223.59 g/mol
Exact Mass2221.62
IUPAC Name5-[[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;5-[[1-(5,6-difluoro-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-(3H-imidazo[4,5-c]pyridin-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)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCc1ccc2nc(C3C4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5C43)[nH]c2c1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4cc(F)c(F)cc4[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccc(F)cc4[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccncc4[nH]3)ccnc2N1
InChIInChI=1S/C25H16ClF3N4O3.C25H20N4O3.C24H16F2N4O3.C24H17FN4O3.C23H17N5O3/c26-14-7-10(25(27,28)29)8-15-21(14)33-24(31-15)20-19-13-9-11(1-3-16(13)36-22(19)20)35-17-5-6-30-23-12(17)2-4-18(34)32-23;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;25-13-8-15-16(9-14(13)26)29-24(28-15)21-20-12-7-10(1-3-17(12)33-22(20)21)32-18-5-6-27-23-11(18)2-4-19(31)30-23;25-11-1-4-15-16(9-11)28-24(27-15)21-20-14-10-12(2-5-17(14)32-22(20)21)31-18-7-8-26-23-13(18)3-6-19(30)29-23;29-18-4-2-12-17(6-8-25-22(12)28-18)30-11-1-3-16-13(9-11)19-20(21(19)31-16)23-26-14-5-7-24-10-15(14)27-23/h1,3,5-9,19-20,22H,2,4H2,(H,31,33)(H,30,32,34);2-3,5-6,8-11,21-23H,4,7H2,1H3,(H,27,28)(H,26,29,30);1,3,5-9,20-22H,2,4H2,(H,28,29)(H,27,30,31);1-2,4-5,7-10,20-22H,3,6H2,(H,27,28)(H,26,29,30);1,3,5-10,19-21H,2,4H2,(H,26,27)(H,25,28,29)
InChIKeyIDJCAWKBUJNRJD-UHFFFAOYSA-N
XLogP23.18
TPSA458.54 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds15
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002223.59
LogP ≤ 523.18
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze 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;5-[[1-(5,6-difluoro-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-(3H-imidazo[4,5-c]pyridin-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)-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-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 71621049
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
5-[[1-(5-chloro-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
CID 71620890
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
CID 124081236
Lifirafenib Maleate
CID 135395339
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-[[(6bR)-1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-methyl-1a,6b-dihydrocyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 137384687

Frequently Asked Questions

What is the IUPAC name of 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;5-[[1-(5,6-difluoro-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-(3H-imidazo[4,5-c]pyridin-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)-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-[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;5-[[1-(5,6-difluoro-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-(3H-imidazo[4,5-c]pyridin-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)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 158666033) is 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;5-[[1-(5,6-difluoro-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-(3H-imidazo[4,5-c]pyridin-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)-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-[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;5-[[1-(5,6-difluoro-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-(3H-imidazo[4,5-c]pyridin-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)-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-[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;5-[[1-(5,6-difluoro-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-(3H-imidazo[4,5-c]pyridin-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)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is Cc1ccc2nc(C3C4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5C43)[nH]c2c1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4cc(F)c(F)cc4[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccc(F)cc4[nH]3)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccncc4[nH]3)ccnc2N1.
What is the InChIKey of 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;5-[[1-(5,6-difluoro-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-(3H-imidazo[4,5-c]pyridin-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)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is IDJCAWKBUJNRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClF3N4O3.C25H20N4O3.C24H16F2N4O3.C24H17FN4O3.C23H17N5O3/c26-14-7-10(25(27,28)29)8-15-21(14)33-24(31-15)20-19-13-9-11(1-3-16(13)36-22(19)20)35-17-5-6-30-23-12(17)2-4-18(34)32-23;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;25-13-8-15-16(9-14(13)26)29-24(28-15)21-20-12-7-10(1-3-17(12)33-22(20)21)32-18-5-6-27-23-11(18)2-4-19(31)30-23;25-11-1-4-15-16(9-11)28-24(27-15)21-20-14-10-12(2-5-17(14)32-22(20)21)31-18-7-8-26-23-13(18)3-6-19(30)29-23;29-18-4-2-12-17(6-8-25-22(12)28-18)30-11-1-3-16-13(9-11)19-20(21(19)31-16)23-26-14-5-7-24-10-15(14)27-23/h1,3,5-9,19-20,22H,2,4H2,(H,31,33)(H,30,32,34);2-3,5-6,8-11,21-23H,4,7H2,1H3,(H,27,28)(H,26,29,30);1,3,5-9,20-22H,2,4H2,(H,28,29)(H,27,30,31);1-2,4-5,7-10,20-22H,3,6H2,(H,27,28)(H,26,29,30);1,3,5-10,19-21H,2,4H2,(H,26,27)(H,25,28,29).
What are the key properties of 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;5-[[1-(5,6-difluoro-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-(3H-imidazo[4,5-c]pyridin-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)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
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;5-[[1-(5,6-difluoro-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-(3H-imidazo[4,5-c]pyridin-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)-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 2223.59 g/mol, XLogP of 23.18, 15 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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;5-[[1-(5,6-difluoro-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-(3H-imidazo[4,5-c]pyridin-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)-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 158666033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).