2-[[2,6-dichloro-3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile

C128H136Cl10N20O5 — CID 157075628

About 2-[[2,6-dichloro-3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile

2-[[2,6-dichloro-3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile (PubChem CID 157075628) has the molecular formula C128H136Cl10N20O5 and a molecular weight of 2389.16 g/mol. Its IUPAC name is 2-[[2,6-dichloro-3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile.

Molecular Properties

• Compound Name: 2-[[2,6-dichloro-3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile
• PubChem CID: 157075628
• Molecular Formula: C128H136Cl10N20O5
• Molecular Weight: 2389.16 g/mol
• Exact Mass: 2382.79
• IUPAC Name: 2-[[2,6-dichloro-3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile
• SMILES: CCCN1CCCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.CCCN1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCN(C(C)C)CC3)c1Cl)n2C.Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCN(C)C(C)C3)c1Cl)n2C.Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCN(C)CC3)c1Cl)n2C
• InChI: InChI=1S/C27H30Cl2N4O.2C26H28Cl2N4O.C25H26Cl2N4O.C24H24Cl2N4O/c1-4-8-32-9-5-10-33(12-11-32)27(34)21-6-7-24(28)23(26(21)29)16-20-15-22-18(2)13-19(17-30)14-25(22)31(20)3;1-16(2)31-7-9-32(10-8-31)26(33)20-5-6-23(27)22(25(20)28)14-19-13-21-17(3)11-18(15-29)12-24(21)30(19)4;1-4-7-31-8-10-32(11-9-31)26(33)20-5-6-23(27)22(25(20)28)15-19-14-21-17(2)12-18(16-29)13-24(21)30(19)3;1-15-9-17(13-28)10-23-20(15)11-18(30(23)4)12-21-22(26)6-5-19(24(21)27)25(32)31-8-7-29(3)16(2)14-31;1-15-10-16(14-27)11-22-19(15)12-17(29(22)3)13-20-21(25)5-4-18(23(20)26)24(31)30-8-6-28(2)7-9-30/h6-7,13-15H,4-5,8-12,16H2,1-3H3;5-6,11-13,16H,7-10,14H2,1-4H3;5-6,12-14H,4,7-11,15H2,1-3H3;5-6,9-11,16H,7-8,12,14H2,1-4H3;4-5,10-12H,6-9,13H2,1-3H3
• InChIKey: ACYDSNZVESGRBG-UHFFFAOYSA-N
• XLogP: 26.34
• TPSA: 261.35 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2389.16
LogP ≤ 5	26.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dichloro-3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile?

The IUPAC name of 2-[[2,6-dichloro-3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile (CID 157075628) is 2-[[2,6-dichloro-3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile.

What is the SMILES notation for 2-[[2,6-dichloro-3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile?

The canonical SMILES for 2-[[2,6-dichloro-3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile is CCCN1CCCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.CCCN1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCN(C(C)C)CC3)c1Cl)n2C.Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCN(C)C(C)C3)c1Cl)n2C.Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCN(C)CC3)c1Cl)n2C.

What is the InChIKey of 2-[[2,6-dichloro-3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile?

The InChIKey is ACYDSNZVESGRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30Cl2N4O.2C26H28Cl2N4O.C25H26Cl2N4O.C24H24Cl2N4O/c1-4-8-32-9-5-10-33(12-11-32)27(34)21-6-7-24(28)23(26(21)29)16-20-15-22-18(2)13-19(17-30)14-25(22)31(20)3;1-16(2)31-7-9-32(10-8-31)26(33)20-5-6-23(27)22(25(20)28)14-19-13-21-17(3)11-18(15-29)12-24(21)30(19)4;1-4-7-31-8-10-32(11-9-31)26(33)20-5-6-23(27)22(25(20)28)15-19-14-21-17(2)12-18(16-29)13-24(21)30(19)3;1-15-9-17(13-28)10-23-20(15)11-18(30(23)4)12-21-22(26)6-5-19(24(21)27)25(32)31-8-7-29(3)16(2)14-31;1-15-10-16(14-27)11-22-19(15)12-17(29(22)3)13-20-21(25)5-4-18(23(20)26)24(31)30-8-6-28(2)7-9-30/h6-7,13-15H,4-5,8-12,16H2,1-3H3;5-6,11-13,16H,7-10,14H2,1-4H3;5-6,12-14H,4,7-11,15H2,1-3H3;5-6,9-11,16H,7-8,12,14H2,1-4H3;4-5,10-12H,6-9,13H2,1-3H3.

What are the key properties of 2-[[2,6-dichloro-3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile?

2-[[2,6-dichloro-3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile has a molecular weight of 2389.16 g/mol, XLogP of 26.34, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2,6-dichloro-3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile is sourced from PubChem (CID 157075628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).