1-(azepan-1-yl)-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]ethane-1,2-dione;N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-N-methyl-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-2-pyrrolidin-1-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-(1,3-thiazolidin-3-yl)ethane-1,2-dione

C223H243F8N25O24S2 — CID 161098396

IUPAC1-(azepan-1-yl)-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]ethane-1,2-dione;N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-N-methyl-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-2-pyrrolidin-1-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-(1,3-thiazolidin-3-yl)ethane-1,2-dione
SMILESCCN(C)C(=O)C(=O)c1ccc2[nH]c(C)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2c1.CCN(CC)C(=O)C(=O)c1ccc2[nH]c(C)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2c1.CCNC(=O)C(=O)c1ccc2[nH]c(C)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2c1.Cc1[nH]c2ccc(C(=O)C(=O)N3CCCCCC3)cc2c1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.Cc1[nH]c2ccc(C(=O)C(=O)N3CCSC3)cc2c1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.Cc1[nH]c2ccc(C(=O)C(=O)Nc3nccs3)cc2c1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.Cc1c(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c2cc(C(=O)C(=O)N(C)C(C)C)ccc2n1C.Cc1c(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c2cc(C(=O)C(=O)N3CCCC3)ccc2n1C
InChIInChI=1S/C30H34FN3O3.C29H32FN3O3.C29H34FN3O3.C28H32FN3O3.C27H25FN4O3S.C27H28FN3O3S.C27H30FN3O3.C26H28FN3O3/c1-20-27(29(36)34-16-12-22(13-17-34)18-21-6-9-24(31)10-7-21)25-19-23(8-11-26(25)32-20)28(35)30(37)33-14-4-2-3-5-15-33;1-19-26(28(35)33-15-11-21(12-16-33)17-20-5-8-23(30)9-6-20)24-18-22(7-10-25(24)31(19)2)27(34)29(36)32-13-3-4-14-32;1-18(2)31(4)29(36)27(34)22-8-11-25-24(17-22)26(19(3)32(25)5)28(35)33-14-12-21(13-15-33)16-20-6-9-23(30)10-7-20;1-4-31(5-2)28(35)26(33)21-8-11-24-23(17-21)25(18(3)30-24)27(34)32-14-12-20(13-15-32)16-19-6-9-22(29)10-7-19;1-16-23(26(35)32-11-8-18(9-12-32)14-17-2-5-20(28)6-3-17)21-15-19(4-7-22(21)30-16)24(33)25(34)31-27-29-10-13-36-27;1-17-24(26(33)30-10-8-19(9-11-30)14-18-2-5-21(28)6-3-18)22-15-20(4-7-23(22)29-17)25(32)27(34)31-12-13-35-16-31;1-4-30(3)27(34)25(32)20-7-10-23-22(16-20)24(17(2)29-23)26(33)31-13-11-19(12-14-31)15-18-5-8-21(28)9-6-18;1-3-28-25(32)24(31)19-6-9-22-21(15-19)23(16(2)29-22)26(33)30-12-10-18(11-13-30)14-17-4-7-20(27)8-5-17/h6-11,19,22,32H,2-5,12-18H2,1H3;5-10,18,21H,3-4,11-17H2,1-2H3;6-11,17-18,21H,12-16H2,1-5H3;6-11,17,20,30H,4-5,12-16H2,1-3H3;2-7,10,13,15,18,30H,8-9,11-12,14H2,1H3,(H,29,31,34);2-7,15,19,29H,8-14,16H2,1H3;5-10,16,19,29H,4,11-15H2,1-3H3;4-9,15,18,29H,3,10-14H2,1-2H3,(H,28,32)
InChIKeyUICIWBQGDTYLJK-UHFFFAOYSA-N
MW3873.67 g/mol
LogP37.17
Rot. Bonds46

About 1-(azepan-1-yl)-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]ethane-1,2-dione;N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-N-methyl-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-2-pyrrolidin-1-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-(1,3-thiazolidin-3-yl)ethane-1,2-dione

1-(azepan-1-yl)-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]ethane-1,2-dione;N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-N-methyl-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-2-pyrrolidin-1-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-(1,3-thiazolidin-3-yl)ethane-1,2-dione (PubChem CID 161098396) has the molecular formula C223H243F8N25O24S2 and a molecular weight of 3873.67 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]ethane-1,2-dione;N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-N-methyl-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-2-pyrrolidin-1-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-(1,3-thiazolidin-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]ethane-1,2-dione;N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-N-methyl-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-2-pyrrolidin-1-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-(1,3-thiazolidin-3-yl)ethane-1,2-dione
PubChem CID161098396
Molecular FormulaC223H243F8N25O24S2
Molecular Weight3873.67 g/mol
Exact Mass3870.79
IUPAC Name1-(azepan-1-yl)-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]ethane-1,2-dione;N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-N-methyl-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-2-pyrrolidin-1-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-(1,3-thiazolidin-3-yl)ethane-1,2-dione
SMILESCCN(C)C(=O)C(=O)c1ccc2[nH]c(C)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2c1.CCN(CC)C(=O)C(=O)c1ccc2[nH]c(C)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2c1.CCNC(=O)C(=O)c1ccc2[nH]c(C)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2c1.Cc1[nH]c2ccc(C(=O)C(=O)N3CCCCCC3)cc2c1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.Cc1[nH]c2ccc(C(=O)C(=O)N3CCSC3)cc2c1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.Cc1[nH]c2ccc(C(=O)C(=O)Nc3nccs3)cc2c1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.Cc1c(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c2cc(C(=O)C(=O)N(C)C(C)C)ccc2n1C.Cc1c(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c2cc(C(=O)C(=O)N3CCCC3)ccc2n1C
InChIInChI=1S/C30H34FN3O3.C29H32FN3O3.C29H34FN3O3.C28H32FN3O3.C27H25FN4O3S.C27H28FN3O3S.C27H30FN3O3.C26H28FN3O3/c1-20-27(29(36)34-16-12-22(13-17-34)18-21-6-9-24(31)10-7-21)25-19-23(8-11-26(25)32-20)28(35)30(37)33-14-4-2-3-5-15-33;1-19-26(28(35)33-15-11-21(12-16-33)17-20-5-8-23(30)9-6-20)24-18-22(7-10-25(24)31(19)2)27(34)29(36)32-13-3-4-14-32;1-18(2)31(4)29(36)27(34)22-8-11-25-24(17-22)26(19(3)32(25)5)28(35)33-14-12-21(13-15-33)16-20-6-9-23(30)10-7-20;1-4-31(5-2)28(35)26(33)21-8-11-24-23(17-21)25(18(3)30-24)27(34)32-14-12-20(13-15-32)16-19-6-9-22(29)10-7-19;1-16-23(26(35)32-11-8-18(9-12-32)14-17-2-5-20(28)6-3-17)21-15-19(4-7-22(21)30-16)24(33)25(34)31-27-29-10-13-36-27;1-17-24(26(33)30-10-8-19(9-11-30)14-18-2-5-21(28)6-3-18)22-15-20(4-7-23(22)29-17)25(32)27(34)31-12-13-35-16-31;1-4-30(3)27(34)25(32)20-7-10-23-22(16-20)24(17(2)29-23)26(33)31-13-11-19(12-14-31)15-18-5-8-21(28)9-6-18;1-3-28-25(32)24(31)19-6-9-22-21(15-19)23(16(2)29-22)26(33)30-12-10-18(11-13-30)14-17-4-7-20(27)8-5-17/h6-11,19,22,32H,2-5,12-18H2,1H3;5-10,18,21H,3-4,11-17H2,1-2H3;6-11,17-18,21H,12-16H2,1-5H3;6-11,17,20,30H,4-5,12-16H2,1-3H3;2-7,10,13,15,18,30H,8-9,11-12,14H2,1H3,(H,29,31,34);2-7,15,19,29H,8-14,16H2,1H3;5-10,16,19,29H,4,11-15H2,1-3H3;4-9,15,18,29H,3,10-14H2,1-2H3,(H,28,32)
InChIKeyUICIWBQGDTYLJK-UHFFFAOYSA-N
XLogP37.17
TPSA596.59 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds46
Heavy Atoms282
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003873.67
LogP ≤ 537.17
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 1-(azepan-1-yl)-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]ethane-1,2-dione;N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-N-methyl-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-2-pyrrolidin-1-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-(1,3-thiazolidin-3-yl)ethane-1,2-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]ethane-1,2-dione;N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-N-methyl-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-2-pyrrolidin-1-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-(1,3-thiazolidin-3-yl)ethane-1,2-dione?
The IUPAC name of 1-(azepan-1-yl)-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]ethane-1,2-dione;N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-N-methyl-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-2-pyrrolidin-1-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-(1,3-thiazolidin-3-yl)ethane-1,2-dione (CID 161098396) is 1-(azepan-1-yl)-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]ethane-1,2-dione;N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-N-methyl-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-2-pyrrolidin-1-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-(1,3-thiazolidin-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(azepan-1-yl)-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]ethane-1,2-dione;N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-N-methyl-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-2-pyrrolidin-1-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-(1,3-thiazolidin-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-(azepan-1-yl)-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]ethane-1,2-dione;N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-N-methyl-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-2-pyrrolidin-1-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-(1,3-thiazolidin-3-yl)ethane-1,2-dione is CCN(C)C(=O)C(=O)c1ccc2[nH]c(C)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2c1.CCN(CC)C(=O)C(=O)c1ccc2[nH]c(C)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2c1.CCNC(=O)C(=O)c1ccc2[nH]c(C)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2c1.Cc1[nH]c2ccc(C(=O)C(=O)N3CCCCCC3)cc2c1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.Cc1[nH]c2ccc(C(=O)C(=O)N3CCSC3)cc2c1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.Cc1[nH]c2ccc(C(=O)C(=O)Nc3nccs3)cc2c1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.Cc1c(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c2cc(C(=O)C(=O)N(C)C(C)C)ccc2n1C.Cc1c(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c2cc(C(=O)C(=O)N3CCCC3)ccc2n1C.
What is the InChIKey of 1-(azepan-1-yl)-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]ethane-1,2-dione;N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-N-methyl-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-2-pyrrolidin-1-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-(1,3-thiazolidin-3-yl)ethane-1,2-dione?
The InChIKey is UICIWBQGDTYLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN3O3.C29H32FN3O3.C29H34FN3O3.C28H32FN3O3.C27H25FN4O3S.C27H28FN3O3S.C27H30FN3O3.C26H28FN3O3/c1-20-27(29(36)34-16-12-22(13-17-34)18-21-6-9-24(31)10-7-21)25-19-23(8-11-26(25)32-20)28(35)30(37)33-14-4-2-3-5-15-33;1-19-26(28(35)33-15-11-21(12-16-33)17-20-5-8-23(30)9-6-20)24-18-22(7-10-25(24)31(19)2)27(34)29(36)32-13-3-4-14-32;1-18(2)31(4)29(36)27(34)22-8-11-25-24(17-22)26(19(3)32(25)5)28(35)33-14-12-21(13-15-33)16-20-6-9-23(30)10-7-20;1-4-31(5-2)28(35)26(33)21-8-11-24-23(17-21)25(18(3)30-24)27(34)32-14-12-20(13-15-32)16-19-6-9-22(29)10-7-19;1-16-23(26(35)32-11-8-18(9-12-32)14-17-2-5-20(28)6-3-17)21-15-19(4-7-22(21)30-16)24(33)25(34)31-27-29-10-13-36-27;1-17-24(26(33)30-10-8-19(9-11-30)14-18-2-5-21(28)6-3-18)22-15-20(4-7-23(22)29-17)25(32)27(34)31-12-13-35-16-31;1-4-30(3)27(34)25(32)20-7-10-23-22(16-20)24(17(2)29-23)26(33)31-13-11-19(12-14-31)15-18-5-8-21(28)9-6-18;1-3-28-25(32)24(31)19-6-9-22-21(15-19)23(16(2)29-22)26(33)30-12-10-18(11-13-30)14-17-4-7-20(27)8-5-17/h6-11,19,22,32H,2-5,12-18H2,1H3;5-10,18,21H,3-4,11-17H2,1-2H3;6-11,17-18,21H,12-16H2,1-5H3;6-11,17,20,30H,4-5,12-16H2,1-3H3;2-7,10,13,15,18,30H,8-9,11-12,14H2,1H3,(H,29,31,34);2-7,15,19,29H,8-14,16H2,1H3;5-10,16,19,29H,4,11-15H2,1-3H3;4-9,15,18,29H,3,10-14H2,1-2H3,(H,28,32).
What are the key properties of 1-(azepan-1-yl)-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]ethane-1,2-dione;N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-N-methyl-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-2-pyrrolidin-1-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-(1,3-thiazolidin-3-yl)ethane-1,2-dione?
1-(azepan-1-yl)-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]ethane-1,2-dione;N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-N-methyl-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-2-pyrrolidin-1-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-(1,3-thiazolidin-3-yl)ethane-1,2-dione has a molecular weight of 3873.67 g/mol, XLogP of 37.17, 46 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]ethane-1,2-dione;N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-N-methyl-2-oxoacetamide;N-ethyl-2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-5-yl]-2-pyrrolidin-1-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-5-yl]-2-(1,3-thiazolidin-3-yl)ethane-1,2-dione is sourced from PubChem (CID 161098396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).