2-[6-chloro-5-[(2R,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;ethyl 5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-N,N-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxamide

C152H176Cl2F5N21O20 — CID 158225038

About 2-[6-chloro-5-[(2R,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;ethyl 5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-N,N-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxamide

2-[6-chloro-5-[(2R,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;ethyl 5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-N,N-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxamide (PubChem CID 158225038) has the molecular formula C152H176Cl2F5N21O20 and a molecular weight of 2783.10 g/mol. Its IUPAC name is 2-[6-chloro-5-[(2R,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;ethyl 5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-N,N-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxamide.

Molecular Properties

• Compound Name: 2-[6-chloro-5-[(2R,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;ethyl 5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-N,N-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxamide
• PubChem CID: 158225038
• Molecular Formula: C152H176Cl2F5N21O20
• Molecular Weight: 2783.10 g/mol
• Exact Mass: 2780.27
• IUPAC Name: 2-[6-chloro-5-[(2R,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;ethyl 5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-N,N-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxamide
• SMILES: CCOC(=O)n1cc(C(=O)C(=O)N2CCNCC2)c2cc(C(=O)N3CC(C)N(Cc4ccc(F)cc4)CC3C)c(OC)cc21.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N1CCN(C)CC1)cn2C(=O)N(C)C.C[C@@H]1CC(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)cn(C)c2cc1Cl.Cc1c(C(=O)C(=O)N2CCN(C)CC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(Cl)cc2n1C.Cc1c(C(=O)C(=O)N2CCN(C)CC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)ccc2n1C
• InChI: InChI=1S/C32H38FN5O6.C32H38FN5O5.C30H34ClFN4O3.C30H35FN4O3.C28H31ClFN3O3/c1-5-44-32(42)38-19-26(29(39)31(41)35-12-10-34-11-13-35)24-14-25(28(43-4)15-27(24)38)30(40)37-17-20(2)36(16-21(37)3)18-22-6-8-23(33)9-7-22;1-34(2)32(42)38-20-26(29(39)31(41)37-15-13-35(3)14-16-37)24-18-25(28(43-4)19-27(24)38)30(40)36-11-9-22(10-12-36)17-21-5-7-23(33)8-6-21;1-19-27(28(37)30(39)36-14-12-33(2)13-15-36)24-17-23(25(31)18-26(24)34(19)3)29(38)35-10-8-21(9-11-35)16-20-4-6-22(32)7-5-20;1-20-27(28(36)30(38)35-16-14-32(2)15-17-35)25-19-23(6-9-26(25)33(20)3)29(37)34-12-10-22(11-13-34)18-21-4-7-24(31)8-5-21;1-16-14-33(17(2)10-19(16)11-18-6-8-20(30)9-7-18)27(35)22-12-21-23(26(34)28(36)31(3)4)15-32(5)25(21)13-24(22)29/h6-9,14-15,19-21,34H,5,10-13,16-18H2,1-4H3;5-8,18-20,22H,9-17H2,1-4H3;4-7,17-18,21H,8-16H2,1-3H3;4-9,19,22H,10-18H2,1-3H3;6-9,12-13,15-17,19H,10-11,14H2,1-5H3/t;;;;16-,17+,19?/m....0/s1
• InChIKey: GDRQFEWNVSKHKJ-JONUIOFXSA-N
• XLogP: 19.49
• TPSA: 403.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2783.10
LogP ≤ 5	19.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-[(2R,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;ethyl 5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-N,N-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxamide?

The IUPAC name of 2-[6-chloro-5-[(2R,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;ethyl 5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-N,N-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxamide (CID 158225038) is 2-[6-chloro-5-[(2R,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;ethyl 5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-N,N-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxamide.

What is the SMILES notation for 2-[6-chloro-5-[(2R,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;ethyl 5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-N,N-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxamide?

The canonical SMILES for 2-[6-chloro-5-[(2R,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;ethyl 5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-N,N-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxamide is CCOC(=O)n1cc(C(=O)C(=O)N2CCNCC2)c2cc(C(=O)N3CC(C)N(Cc4ccc(F)cc4)CC3C)c(OC)cc21.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N1CCN(C)CC1)cn2C(=O)N(C)C.C[C@@H]1CC(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)cn(C)c2cc1Cl.Cc1c(C(=O)C(=O)N2CCN(C)CC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(Cl)cc2n1C.Cc1c(C(=O)C(=O)N2CCN(C)CC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)ccc2n1C.

What is the InChIKey of 2-[6-chloro-5-[(2R,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;ethyl 5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-N,N-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxamide?

The InChIKey is GDRQFEWNVSKHKJ-JONUIOFXSA-N. The full InChI is InChI=1S/C32H38FN5O6.C32H38FN5O5.C30H34ClFN4O3.C30H35FN4O3.C28H31ClFN3O3/c1-5-44-32(42)38-19-26(29(39)31(41)35-12-10-34-11-13-35)24-14-25(28(43-4)15-27(24)38)30(40)37-17-20(2)36(16-21(37)3)18-22-6-8-23(33)9-7-22;1-34(2)32(42)38-20-26(29(39)31(41)37-15-13-35(3)14-16-37)24-18-25(28(43-4)19-27(24)38)30(40)36-11-9-22(10-12-36)17-21-5-7-23(33)8-6-21;1-19-27(28(37)30(39)36-14-12-33(2)13-15-36)24-17-23(25(31)18-26(24)34(19)3)29(38)35-10-8-21(9-11-35)16-20-4-6-22(32)7-5-20;1-20-27(28(36)30(38)35-16-14-32(2)15-17-35)25-19-23(6-9-26(25)33(20)3)29(37)34-12-10-22(11-13-34)18-21-4-7-24(31)8-5-21;1-16-14-33(17(2)10-19(16)11-18-6-8-20(30)9-7-18)27(35)22-12-21-23(26(34)28(36)31(3)4)15-32(5)25(21)13-24(22)29/h6-9,14-15,19-21,34H,5,10-13,16-18H2,1-4H3;5-8,18-20,22H,9-17H2,1-4H3;4-7,17-18,21H,8-16H2,1-3H3;4-9,19,22H,10-18H2,1-3H3;6-9,12-13,15-17,19H,10-11,14H2,1-5H3/t;;;;16-,17+,19?/m....0/s1.

What are the key properties of 2-[6-chloro-5-[(2R,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;ethyl 5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-N,N-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxamide?

2-[6-chloro-5-[(2R,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;ethyl 5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-N,N-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxamide has a molecular weight of 2783.10 g/mol, XLogP of 19.49, 28 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-5-[(2R,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;ethyl 5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,2-dimethylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-N,N-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxamide is sourced from PubChem (CID 158225038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).