5-chloro-3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-fluoro-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-isocyano-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-methyl-1H-indole

C112H144ClFN26 — CID 158142829

About 5-chloro-3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-fluoro-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-isocyano-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-methyl-1H-indole

5-chloro-3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-fluoro-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-isocyano-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-methyl-1H-indole (PubChem CID 158142829) has the molecular formula C112H144ClFN26 and a molecular weight of 1909.02 g/mol. Its IUPAC name is 5-chloro-3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-fluoro-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-isocyano-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-methyl-1H-indole.

Molecular Properties

• Compound Name: 5-chloro-3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-fluoro-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-isocyano-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-methyl-1H-indole
• PubChem CID: 158142829
• Molecular Formula: C112H144ClFN26
• Molecular Weight: 1909.02 g/mol
• Exact Mass: 1907.17
• IUPAC Name: 5-chloro-3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-fluoro-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-isocyano-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-methyl-1H-indole
• SMILES: Cc1cc(C)nc(N2CCN(CCCCc3c[nH]c4ccc(Cl)cc34)CC2)n1.Cc1cc(C)nc(N2CCN(CCCCc3c[nH]c4ccc(F)cc34)CC2)n1.Cc1cc(C)nc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)n1.Cc1ccc2[nH]cc(CCCCN3CCN(c4nc(C)cc(C)n4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4nc(C)cc(C)n4)CC3)c2c1
• InChI: InChI=1S/C23H28N6.C23H31N5.C22H28ClN5.C22H28FN5.C22H29N5/c1-17-14-18(2)27-23(26-17)29-12-10-28(11-13-29)9-5-4-6-19-16-25-22-8-7-20(24-3)15-21(19)22;1-17-7-8-22-21(14-17)20(16-24-22)6-4-5-9-27-10-12-28(13-11-27)23-25-18(2)15-19(3)26-23;2*1-16-13-17(2)26-22(25-16)28-11-9-27(10-12-28)8-4-3-5-18-15-24-21-7-6-19(23)14-20(18)21;1-17-15-18(2)25-22(24-17)27-13-11-26(12-14-27)10-6-5-7-19-16-23-21-9-4-3-8-20(19)21/h7-8,14-16,25H,4-6,9-13H2,1-2H3;7-8,14-16,24H,4-6,9-13H2,1-3H3;2*6-7,13-15,24H,3-5,8-12H2,1-2H3;3-4,8-9,15-16,23H,5-7,10-14H2,1-2H3
• InChIKey: FUDOUKJTKVXFNZ-UHFFFAOYSA-N
• XLogP: 20.25
• TPSA: 244.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 30
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1909.02
LogP ≤ 5	20.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-fluoro-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-isocyano-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-methyl-1H-indole?

The IUPAC name of 5-chloro-3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-fluoro-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-isocyano-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-methyl-1H-indole (CID 158142829) is 5-chloro-3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-fluoro-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-isocyano-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-methyl-1H-indole.

What is the SMILES notation for 5-chloro-3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-fluoro-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-isocyano-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-methyl-1H-indole?

The canonical SMILES for 5-chloro-3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-fluoro-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-isocyano-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-methyl-1H-indole is Cc1cc(C)nc(N2CCN(CCCCc3c[nH]c4ccc(Cl)cc34)CC2)n1.Cc1cc(C)nc(N2CCN(CCCCc3c[nH]c4ccc(F)cc34)CC2)n1.Cc1cc(C)nc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)n1.Cc1ccc2[nH]cc(CCCCN3CCN(c4nc(C)cc(C)n4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4nc(C)cc(C)n4)CC3)c2c1.

What is the InChIKey of 5-chloro-3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-fluoro-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-isocyano-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-methyl-1H-indole?

The InChIKey is FUDOUKJTKVXFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6.C23H31N5.C22H28ClN5.C22H28FN5.C22H29N5/c1-17-14-18(2)27-23(26-17)29-12-10-28(11-13-29)9-5-4-6-19-16-25-22-8-7-20(24-3)15-21(19)22;1-17-7-8-22-21(14-17)20(16-24-22)6-4-5-9-27-10-12-28(13-11-27)23-25-18(2)15-19(3)26-23;2*1-16-13-17(2)26-22(25-16)28-11-9-27(10-12-28)8-4-3-5-18-15-24-21-7-6-19(23)14-20(18)21;1-17-15-18(2)25-22(24-17)27-13-11-26(12-14-27)10-6-5-7-19-16-23-21-9-4-3-8-20(19)21/h7-8,14-16,25H,4-6,9-13H2,1-2H3;7-8,14-16,24H,4-6,9-13H2,1-3H3;2*6-7,13-15,24H,3-5,8-12H2,1-2H3;3-4,8-9,15-16,23H,5-7,10-14H2,1-2H3.

What are the key properties of 5-chloro-3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-fluoro-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-isocyano-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-methyl-1H-indole?

5-chloro-3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-fluoro-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-isocyano-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-methyl-1H-indole has a molecular weight of 1909.02 g/mol, XLogP of 20.25, 30 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-fluoro-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-isocyano-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-methyl-1H-indole is sourced from PubChem (CID 158142829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).