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

C107H134ClFN26 — CID 158654792

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

5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-fluoro-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-isocyano-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole (PubChem CID 158654792) has the molecular formula C107H134ClFN26 and a molecular weight of 1838.88 g/mol. Its IUPAC name is 5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-fluoro-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-isocyano-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole.

Molecular Properties

• Compound Name: 5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-fluoro-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-isocyano-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole
• PubChem CID: 158654792
• Molecular Formula: C107H134ClFN26
• Molecular Weight: 1838.88 g/mol
• Exact Mass: 1837.10
• IUPAC Name: 5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-fluoro-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-isocyano-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole
• SMILES: Cc1cc(C)nc(N2CCN(CCCc3c[nH]c4ccc(Cl)cc34)CC2)n1.Cc1cc(C)nc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)n1.Cc1cc(C)nc(N2CCN(CCCc3c[nH]c4ccccc34)CC2)n1.Cc1ccc2[nH]cc(CCCN3CCN(c4nc(C)cc(C)n4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4nc(C)cc(C)n4)CC3)c2c1
• InChI: InChI=1S/C22H26N6.C22H29N5.C21H26ClN5.C21H26FN5.C21H27N5/c1-16-13-17(2)26-22(25-16)28-11-9-27(10-12-28)8-4-5-18-15-24-21-7-6-19(23-3)14-20(18)21;1-16-6-7-21-20(13-16)19(15-23-21)5-4-8-26-9-11-27(12-10-26)22-24-17(2)14-18(3)25-22;2*1-15-12-16(2)25-21(24-15)27-10-8-26(9-11-27)7-3-4-17-14-23-20-6-5-18(22)13-19(17)20;1-16-14-17(2)24-21(23-16)26-12-10-25(11-13-26)9-5-6-18-15-22-20-8-4-3-7-19(18)20/h6-7,13-15,24H,4-5,8-12H2,1-2H3;6-7,13-15,23H,4-5,8-12H2,1-3H3;2*5-6,12-14,23H,3-4,7-11H2,1-2H3;3-4,7-8,14-15,22H,5-6,9-13H2,1-2H3
• InChIKey: IBZNLLVPVUMKQD-UHFFFAOYSA-N
• XLogP: 18.30
• TPSA: 244.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1838.88
LogP ≤ 5	18.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-fluoro-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-isocyano-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole (CID 158654792) is 5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-fluoro-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-isocyano-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole.

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

The canonical SMILES for 5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-fluoro-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-isocyano-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole is Cc1cc(C)nc(N2CCN(CCCc3c[nH]c4ccc(Cl)cc34)CC2)n1.Cc1cc(C)nc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)n1.Cc1cc(C)nc(N2CCN(CCCc3c[nH]c4ccccc34)CC2)n1.Cc1ccc2[nH]cc(CCCN3CCN(c4nc(C)cc(C)n4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4nc(C)cc(C)n4)CC3)c2c1.

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

The InChIKey is IBZNLLVPVUMKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6.C22H29N5.C21H26ClN5.C21H26FN5.C21H27N5/c1-16-13-17(2)26-22(25-16)28-11-9-27(10-12-28)8-4-5-18-15-24-21-7-6-19(23-3)14-20(18)21;1-16-6-7-21-20(13-16)19(15-23-21)5-4-8-26-9-11-27(12-10-26)22-24-17(2)14-18(3)25-22;2*1-15-12-16(2)25-21(24-15)27-10-8-26(9-11-27)7-3-4-17-14-23-20-6-5-18(22)13-19(17)20;1-16-14-17(2)24-21(23-16)26-12-10-25(11-13-26)9-5-6-18-15-22-20-8-4-3-7-19(18)20/h6-7,13-15,24H,4-5,8-12H2,1-2H3;6-7,13-15,23H,4-5,8-12H2,1-3H3;2*5-6,12-14,23H,3-4,7-11H2,1-2H3;3-4,7-8,14-15,22H,5-6,9-13H2,1-2H3.

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

5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-fluoro-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-isocyano-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole has a molecular weight of 1838.88 g/mol, XLogP of 18.30, 25 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-fluoro-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-isocyano-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole is sourced from PubChem (CID 158654792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).