1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N-cyclopropyl-N-methyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide

C144H162Cl2F5N17O21 — CID 157391222

About 1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N-cyclopropyl-N-methyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide

1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N-cyclopropyl-N-methyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 157391222) has the molecular formula C144H162Cl2F5N17O21 and a molecular weight of 2632.87 g/mol. Its IUPAC name is 1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N-cyclopropyl-N-methyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

• Compound Name: 1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N-cyclopropyl-N-methyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
• PubChem CID: 157391222
• Molecular Formula: C144H162Cl2F5N17O21
• Molecular Weight: 2632.87 g/mol
• Exact Mass: 2630.14
• IUPAC Name: 1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N-cyclopropyl-N-methyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
• SMILES: CN(C(=O)C(=O)c1cn(C)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12)C1CC1.COCn1cc(C(=O)C(=O)N(C)C)c2cc(C(=O)N3CCC(C)(Cc4ccc(F)cc4)CC3)c(OC)cc21.COc1cc2c(cc1C(=O)N1CCC(C)(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C.COc1cc2c(cc1C(=O)N1C[C@H](C)N(Cc3ccc(F)cc3)C[C@H]1C)c(C(=O)C(=O)N1CCOCC1)cn2C.C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N3CCOCC3)cn(C)c2cc1Cl
• InChI: InChI=1S/C30H35FN4O5.C29H32ClFN4O4.C29H34FN3O5.C28H29ClFN3O3.C28H32FN3O4/c1-19-16-35(20(2)15-34(19)17-21-5-7-22(31)8-6-21)29(37)24-13-23-25(18-32(3)26(23)14-27(24)39-4)28(36)30(38)33-9-11-40-12-10-33;1-18-15-35(19(2)14-34(18)16-20-4-6-21(31)7-5-20)28(37)23-12-22-24(17-32(3)26(22)13-25(23)30)27(36)29(38)33-8-10-39-11-9-33;1-29(16-19-6-8-20(30)9-7-19)10-12-32(13-11-29)27(35)22-14-21-23(26(34)28(36)31(2)3)17-33(18-37-4)24(21)15-25(22)38-5;1-31-16-23(26(34)28(36)32(2)20-7-8-20)21-14-22(24(29)15-25(21)31)27(35)33-11-9-18(10-12-33)13-17-3-5-19(30)6-4-17;1-28(16-18-6-8-19(29)9-7-18)10-12-32(13-11-28)26(34)21-14-20-22(25(33)27(35)30(2)3)17-31(4)23(20)15-24(21)36-5/h5-8,13-14,18-20H,9-12,15-17H2,1-4H3;4-7,12-13,17-19H,8-11,14-16H2,1-3H3;6-9,14-15,17H,10-13,16,18H2,1-5H3;3-6,14-16,18,20H,7-13H2,1-2H3;6-9,14-15,17H,10-13,16H2,1-5H3/t19-,20+;18-,19+;;;/m00.../s1
• InChIKey: BMAIBVATVUSYIC-CBORECMXSA-N
• XLogP: 19.95
• TPSA: 374.96 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2632.87
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N-cyclopropyl-N-methyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide?

The IUPAC name of 1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N-cyclopropyl-N-methyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 157391222) is 1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N-cyclopropyl-N-methyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide.

What is the SMILES notation for 1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N-cyclopropyl-N-methyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide?

The canonical SMILES for 1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N-cyclopropyl-N-methyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide is CN(C(=O)C(=O)c1cn(C)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12)C1CC1.COCn1cc(C(=O)C(=O)N(C)C)c2cc(C(=O)N3CCC(C)(Cc4ccc(F)cc4)CC3)c(OC)cc21.COc1cc2c(cc1C(=O)N1CCC(C)(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C.COc1cc2c(cc1C(=O)N1C[C@H](C)N(Cc3ccc(F)cc3)C[C@H]1C)c(C(=O)C(=O)N1CCOCC1)cn2C.C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N3CCOCC3)cn(C)c2cc1Cl.

What is the InChIKey of 1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N-cyclopropyl-N-methyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide?

The InChIKey is BMAIBVATVUSYIC-CBORECMXSA-N. The full InChI is InChI=1S/C30H35FN4O5.C29H32ClFN4O4.C29H34FN3O5.C28H29ClFN3O3.C28H32FN3O4/c1-19-16-35(20(2)15-34(19)17-21-5-7-22(31)8-6-21)29(37)24-13-23-25(18-32(3)26(23)14-27(24)39-4)28(36)30(38)33-9-11-40-12-10-33;1-18-15-35(19(2)14-34(18)16-20-4-6-21(31)7-5-20)28(37)23-12-22-24(17-32(3)26(22)13-25(23)30)27(36)29(38)33-8-10-39-11-9-33;1-29(16-19-6-8-20(30)9-7-19)10-12-32(13-11-29)27(35)22-14-21-23(26(34)28(36)31(2)3)17-33(18-37-4)24(21)15-25(22)38-5;1-31-16-23(26(34)28(36)32(2)20-7-8-20)21-14-22(24(29)15-25(21)31)27(35)33-11-9-18(10-12-33)13-17-3-5-19(30)6-4-17;1-28(16-18-6-8-19(29)9-7-18)10-12-32(13-11-28)26(34)21-14-20-22(25(33)27(35)30(2)3)17-31(4)23(20)15-24(21)36-5/h5-8,13-14,18-20H,9-12,15-17H2,1-4H3;4-7,12-13,17-19H,8-11,14-16H2,1-3H3;6-9,14-15,17H,10-13,16,18H2,1-5H3;3-6,14-16,18,20H,7-13H2,1-2H3;6-9,14-15,17H,10-13,16H2,1-5H3/t19-,20+;18-,19+;;;/m00.../s1.

What are the key properties of 1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N-cyclopropyl-N-methyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide?

1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N-cyclopropyl-N-methyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 2632.87 g/mol, XLogP of 19.95, 31 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N-cyclopropyl-N-methyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 157391222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).