ethyl 8-(3,3-dimethylbutoxy)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(2-methylpropoxy)benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(3,3,3-trifluoropropoxy)benzo[g][1]benzofuran-3-carboxylate;methyl 7-[2-(3,5-dimethoxyphenyl)ethoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;methyl 7-[(4-fluorophenyl)methoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate

C161H177F4N15O27 — CID 157457019

IUPACethyl 8-(3,3-dimethylbutoxy)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(2-methylpropoxy)benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(3,3,3-trifluoropropoxy)benzo[g][1]benzofuran-3-carboxylate;methyl 7-[2-(3,5-dimethoxyphenyl)ethoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;methyl 7-[(4-fluorophenyl)methoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2c1c(C(c1ccncc1)N1CCN(C)CC1)c(O)c1ccc(OCC(C)C)cc12.CCOC(=O)c1c(C)oc2c1c(C(c1ccncc1)N1CCN(C)CC1)c(O)c1ccc(OCCC(C)(C)C)cc12.CCOC(=O)c1c(C)oc2c1c(C(c1ccncc1)N1CCN(C)CC1)c(O)c1ccc(OCCC(F)(F)F)cc12.COC(=O)c1coc2c1c(C(c1ccncc1)N1CCN(C)CC1)c(O)c1cc(OCCc3cc(OC)cc(OC)c3)ccc12.COC(=O)c1coc2c1c(C(c1ccncc1)N1CCN(C)CC1)c(O)c1cc(OCc3ccc(F)cc3)ccc12
InChIInChI=1S/C35H37N3O7.C33H41N3O5.C32H30FN3O5.C31H37N3O5.C30H32F3N3O5/c1-37-12-14-38(15-13-37)32(23-7-10-36-11-8-23)31-30-29(35(40)43-4)21-45-34(30)27-6-5-24(20-28(27)33(31)39)44-16-9-22-17-25(41-2)19-26(18-22)42-3;1-7-39-32(38)26-21(2)41-31-25-20-23(40-19-12-33(3,4)5)8-9-24(25)30(37)28(27(26)31)29(22-10-13-34-14-11-22)36-17-15-35(6)16-18-36;1-35-13-15-36(16-14-35)29(21-9-11-34-12-10-21)28-27-26(32(38)39-2)19-41-31(27)24-8-7-23(17-25(24)30(28)37)40-18-20-3-5-22(33)6-4-20;1-6-37-31(36)25-20(4)39-30-24-17-22(38-18-19(2)3)7-8-23(24)29(35)27(26(25)30)28(21-9-11-32-12-10-21)34-15-13-33(5)14-16-34;1-4-39-29(38)23-18(2)41-28-22-17-20(40-16-9-30(31,32)33)5-6-21(22)27(37)25(24(23)28)26(19-7-10-34-11-8-19)36-14-12-35(3)13-15-36/h5-8,10-11,17-21,32,39H,9,12-16H2,1-4H3;8-11,13-14,20,29,37H,7,12,15-19H2,1-6H3;3-12,17,19,29,37H,13-16,18H2,1-2H3;7-12,17,19,28,35H,6,13-16,18H2,1-5H3;5-8,10-11,17,26,37H,4,9,12-16H2,1-3H3
InChIKeyBTMCYVVWFPCVIM-UHFFFAOYSA-N
MW2830.26 g/mol
LogP28.68
Rot. Bonds41

About ethyl 8-(3,3-dimethylbutoxy)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(2-methylpropoxy)benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(3,3,3-trifluoropropoxy)benzo[g][1]benzofuran-3-carboxylate;methyl 7-[2-(3,5-dimethoxyphenyl)ethoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;methyl 7-[(4-fluorophenyl)methoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate

ethyl 8-(3,3-dimethylbutoxy)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(2-methylpropoxy)benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(3,3,3-trifluoropropoxy)benzo[g][1]benzofuran-3-carboxylate;methyl 7-[2-(3,5-dimethoxyphenyl)ethoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;methyl 7-[(4-fluorophenyl)methoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate (PubChem CID 157457019) has the molecular formula C161H177F4N15O27 and a molecular weight of 2830.26 g/mol. Its IUPAC name is ethyl 8-(3,3-dimethylbutoxy)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(2-methylpropoxy)benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(3,3,3-trifluoropropoxy)benzo[g][1]benzofuran-3-carboxylate;methyl 7-[2-(3,5-dimethoxyphenyl)ethoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;methyl 7-[(4-fluorophenyl)methoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-(3,3-dimethylbutoxy)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(2-methylpropoxy)benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(3,3,3-trifluoropropoxy)benzo[g][1]benzofuran-3-carboxylate;methyl 7-[2-(3,5-dimethoxyphenyl)ethoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;methyl 7-[(4-fluorophenyl)methoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate
PubChem CID157457019
Molecular FormulaC161H177F4N15O27
Molecular Weight2830.26 g/mol
Exact Mass2828.29
IUPAC Nameethyl 8-(3,3-dimethylbutoxy)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(2-methylpropoxy)benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(3,3,3-trifluoropropoxy)benzo[g][1]benzofuran-3-carboxylate;methyl 7-[2-(3,5-dimethoxyphenyl)ethoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;methyl 7-[(4-fluorophenyl)methoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2c1c(C(c1ccncc1)N1CCN(C)CC1)c(O)c1ccc(OCC(C)C)cc12.CCOC(=O)c1c(C)oc2c1c(C(c1ccncc1)N1CCN(C)CC1)c(O)c1ccc(OCCC(C)(C)C)cc12.CCOC(=O)c1c(C)oc2c1c(C(c1ccncc1)N1CCN(C)CC1)c(O)c1ccc(OCCC(F)(F)F)cc12.COC(=O)c1coc2c1c(C(c1ccncc1)N1CCN(C)CC1)c(O)c1cc(OCCc3cc(OC)cc(OC)c3)ccc12.COC(=O)c1coc2c1c(C(c1ccncc1)N1CCN(C)CC1)c(O)c1cc(OCc3ccc(F)cc3)ccc12
InChIInChI=1S/C35H37N3O7.C33H41N3O5.C32H30FN3O5.C31H37N3O5.C30H32F3N3O5/c1-37-12-14-38(15-13-37)32(23-7-10-36-11-8-23)31-30-29(35(40)43-4)21-45-34(30)27-6-5-24(20-28(27)33(31)39)44-16-9-22-17-25(41-2)19-26(18-22)42-3;1-7-39-32(38)26-21(2)41-31-25-20-23(40-19-12-33(3,4)5)8-9-24(25)30(37)28(27(26)31)29(22-10-13-34-14-11-22)36-17-15-35(6)16-18-36;1-35-13-15-36(16-14-35)29(21-9-11-34-12-10-21)28-27-26(32(38)39-2)19-41-31(27)24-8-7-23(17-25(24)30(28)37)40-18-20-3-5-22(33)6-4-20;1-6-37-31(36)25-20(4)39-30-24-17-22(38-18-19(2)3)7-8-23(24)29(35)27(26(25)30)28(21-9-11-32-12-10-21)34-15-13-33(5)14-16-34;1-4-39-29(38)23-18(2)41-28-22-17-20(40-16-9-30(31,32)33)5-6-21(22)27(37)25(24(23)28)26(19-7-10-34-11-8-19)36-14-12-35(3)13-15-36/h5-8,10-11,17-21,32,39H,9,12-16H2,1-4H3;8-11,13-14,20,29,37H,7,12,15-19H2,1-6H3;3-12,17,19,29,37H,13-16,18H2,1-2H3;7-12,17,19,28,35H,6,13-16,18H2,1-5H3;5-8,10-11,17,26,37H,4,9,12-16H2,1-3H3
InChIKeyBTMCYVVWFPCVIM-UHFFFAOYSA-N
XLogP28.68
TPSA459.81 Ų
H-Bond Donors5
H-Bond Acceptors42
Rotatable Bonds41
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002830.26
LogP ≤ 528.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 8-(3,3-dimethylbutoxy)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(2-methylpropoxy)benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(3,3,3-trifluoropropoxy)benzo[g][1]benzofuran-3-carboxylate;methyl 7-[2-(3,5-dimethoxyphenyl)ethoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;methyl 7-[(4-fluorophenyl)methoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-[(2-fluoro-4-pyridinyl)-(4-methylpiperazin-1-yl)methyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 71765810
Methyl 4-[(2-fluoro-4-pyridinyl)-(4-methylpiperazin-1-yl)methyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 71765813
7-Fluoro-4-[(2-fluoro-4-pyridinyl)-(4-methylpiperazin-1-yl)methyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylic acid
CID 71765964
4-[(2-Fluoro-4-pyridinyl)-(4-methylpiperazin-1-yl)methyl]-5-hydroxybenzo[g][1]benzofuran-3-carboxylic acid
CID 71765965
4-[(2-Fluoro-4-pyridinyl)-morpholin-4-ylmethyl]-5-hydroxy-7-methoxybenzo[g][1]benzofuran-3-carboxylic acid
CID 71765967
Methyl 6-fluoro-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate
CID 71766107
Ethyl 7-fluoro-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate
CID 71766246
Methyl 7-fluoro-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate
CID 71766248
Ethyl 6-fluoro-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate
CID 71766393
Methyl 6-fluoro-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate
CID 71766395
Methyl 7-fluoro-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate
CID 71766540
6-Fluoro-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylic acid
CID 71766542

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(3,3-dimethylbutoxy)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(2-methylpropoxy)benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(3,3,3-trifluoropropoxy)benzo[g][1]benzofuran-3-carboxylate;methyl 7-[2-(3,5-dimethoxyphenyl)ethoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;methyl 7-[(4-fluorophenyl)methoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate?
The IUPAC name of ethyl 8-(3,3-dimethylbutoxy)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(2-methylpropoxy)benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(3,3,3-trifluoropropoxy)benzo[g][1]benzofuran-3-carboxylate;methyl 7-[2-(3,5-dimethoxyphenyl)ethoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;methyl 7-[(4-fluorophenyl)methoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate (CID 157457019) is ethyl 8-(3,3-dimethylbutoxy)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(2-methylpropoxy)benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(3,3,3-trifluoropropoxy)benzo[g][1]benzofuran-3-carboxylate;methyl 7-[2-(3,5-dimethoxyphenyl)ethoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;methyl 7-[(4-fluorophenyl)methoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 8-(3,3-dimethylbutoxy)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(2-methylpropoxy)benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(3,3,3-trifluoropropoxy)benzo[g][1]benzofuran-3-carboxylate;methyl 7-[2-(3,5-dimethoxyphenyl)ethoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;methyl 7-[(4-fluorophenyl)methoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate?
The canonical SMILES for ethyl 8-(3,3-dimethylbutoxy)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(2-methylpropoxy)benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(3,3,3-trifluoropropoxy)benzo[g][1]benzofuran-3-carboxylate;methyl 7-[2-(3,5-dimethoxyphenyl)ethoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;methyl 7-[(4-fluorophenyl)methoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate is CCOC(=O)c1c(C)oc2c1c(C(c1ccncc1)N1CCN(C)CC1)c(O)c1ccc(OCC(C)C)cc12.CCOC(=O)c1c(C)oc2c1c(C(c1ccncc1)N1CCN(C)CC1)c(O)c1ccc(OCCC(C)(C)C)cc12.CCOC(=O)c1c(C)oc2c1c(C(c1ccncc1)N1CCN(C)CC1)c(O)c1ccc(OCCC(F)(F)F)cc12.COC(=O)c1coc2c1c(C(c1ccncc1)N1CCN(C)CC1)c(O)c1cc(OCCc3cc(OC)cc(OC)c3)ccc12.COC(=O)c1coc2c1c(C(c1ccncc1)N1CCN(C)CC1)c(O)c1cc(OCc3ccc(F)cc3)ccc12.
What is the InChIKey of ethyl 8-(3,3-dimethylbutoxy)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(2-methylpropoxy)benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(3,3,3-trifluoropropoxy)benzo[g][1]benzofuran-3-carboxylate;methyl 7-[2-(3,5-dimethoxyphenyl)ethoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;methyl 7-[(4-fluorophenyl)methoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate?
The InChIKey is BTMCYVVWFPCVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O7.C33H41N3O5.C32H30FN3O5.C31H37N3O5.C30H32F3N3O5/c1-37-12-14-38(15-13-37)32(23-7-10-36-11-8-23)31-30-29(35(40)43-4)21-45-34(30)27-6-5-24(20-28(27)33(31)39)44-16-9-22-17-25(41-2)19-26(18-22)42-3;1-7-39-32(38)26-21(2)41-31-25-20-23(40-19-12-33(3,4)5)8-9-24(25)30(37)28(27(26)31)29(22-10-13-34-14-11-22)36-17-15-35(6)16-18-36;1-35-13-15-36(16-14-35)29(21-9-11-34-12-10-21)28-27-26(32(38)39-2)19-41-31(27)24-8-7-23(17-25(24)30(28)37)40-18-20-3-5-22(33)6-4-20;1-6-37-31(36)25-20(4)39-30-24-17-22(38-18-19(2)3)7-8-23(24)29(35)27(26(25)30)28(21-9-11-32-12-10-21)34-15-13-33(5)14-16-34;1-4-39-29(38)23-18(2)41-28-22-17-20(40-16-9-30(31,32)33)5-6-21(22)27(37)25(24(23)28)26(19-7-10-34-11-8-19)36-14-12-35(3)13-15-36/h5-8,10-11,17-21,32,39H,9,12-16H2,1-4H3;8-11,13-14,20,29,37H,7,12,15-19H2,1-6H3;3-12,17,19,29,37H,13-16,18H2,1-2H3;7-12,17,19,28,35H,6,13-16,18H2,1-5H3;5-8,10-11,17,26,37H,4,9,12-16H2,1-3H3.
What are the key properties of ethyl 8-(3,3-dimethylbutoxy)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(2-methylpropoxy)benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(3,3,3-trifluoropropoxy)benzo[g][1]benzofuran-3-carboxylate;methyl 7-[2-(3,5-dimethoxyphenyl)ethoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;methyl 7-[(4-fluorophenyl)methoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate?
ethyl 8-(3,3-dimethylbutoxy)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(2-methylpropoxy)benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(3,3,3-trifluoropropoxy)benzo[g][1]benzofuran-3-carboxylate;methyl 7-[2-(3,5-dimethoxyphenyl)ethoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;methyl 7-[(4-fluorophenyl)methoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate has a molecular weight of 2830.26 g/mol, XLogP of 28.68, 41 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(3,3-dimethylbutoxy)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(2-methylpropoxy)benzo[g][1]benzofuran-3-carboxylate;ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-8-(3,3,3-trifluoropropoxy)benzo[g][1]benzofuran-3-carboxylate;methyl 7-[2-(3,5-dimethoxyphenyl)ethoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate;methyl 7-[(4-fluorophenyl)methoxy]-5-hydroxy-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate is sourced from PubChem (CID 157457019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).