5-isocyano-3-[4-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[3-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole

C159H168N42 — CID 160811700

About 5-isocyano-3-[4-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[3-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole

5-isocyano-3-[4-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[3-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole (PubChem CID 160811700) has the molecular formula C159H168N42 and a molecular weight of 2667.39 g/mol. Its IUPAC name is 5-isocyano-3-[4-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[3-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole.

Molecular Properties

• Compound Name: 5-isocyano-3-[4-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[3-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole
• PubChem CID: 160811700
• Molecular Formula: C159H168N42
• Molecular Weight: 2667.39 g/mol
• Exact Mass: 2665.44
• IUPAC Name: 5-isocyano-3-[4-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[3-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole
• SMILES: [C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5ccc(C)cn5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5ccc(C)nc5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5cccc(C)n5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5ccc(C)cn5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5ccc(C)nc5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5cccc(C)n5)cn4)CC3)c2c1
• InChI: InChI=1S/3C27H29N7.3C26H27N7/c1-20-6-5-8-25(32-20)22-18-30-27(31-19-22)34-14-12-33(13-15-34)11-4-3-7-21-17-29-26-10-9-23(28-2)16-24(21)26;1-20-6-8-25(29-16-20)22-18-31-27(32-19-22)34-13-11-33(12-14-34)10-4-3-5-21-17-30-26-9-7-23(28-2)15-24(21)26;1-20-6-7-21(16-29-20)23-18-31-27(32-19-23)34-13-11-33(12-14-34)10-4-3-5-22-17-30-26-9-8-24(28-2)15-25(22)26;1-19-5-3-7-24(31-19)21-17-29-26(30-18-21)33-13-11-32(12-14-33)10-4-6-20-16-28-25-9-8-22(27-2)15-23(20)25;1-19-5-7-24(28-15-19)21-17-30-26(31-18-21)33-12-10-32(11-13-33)9-3-4-20-16-29-25-8-6-22(27-2)14-23(20)25;1-19-5-6-20(15-28-19)22-17-30-26(31-18-22)33-12-10-32(11-13-33)9-3-4-21-16-29-25-8-7-23(27-2)14-24(21)25/h5-6,8-10,16-19,29H,3-4,7,11-15H2,1H3;2*6-9,15-19,30H,3-5,10-14H2,1H3;3,5,7-9,15-18,28H,4,6,10-14H2,1H3;2*5-8,14-18,29H,3-4,9-13H2,1H3
• InChIKey: SEJNFWIEZHSBHY-UHFFFAOYSA-N
• XLogP: 28.97
• TPSA: 391.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 39
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2667.39
LogP ≤ 5	28.97
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

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-isocyano-3-[4-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[3-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole?

The IUPAC name of 5-isocyano-3-[4-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[3-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole (CID 160811700) is 5-isocyano-3-[4-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[3-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole.

What is the SMILES notation for 5-isocyano-3-[4-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[3-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole?

The canonical SMILES for 5-isocyano-3-[4-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[3-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole is [C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5ccc(C)cn5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5ccc(C)nc5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5cccc(C)n5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5ccc(C)cn5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5ccc(C)nc5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5cccc(C)n5)cn4)CC3)c2c1.

What is the InChIKey of 5-isocyano-3-[4-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[3-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole?

The InChIKey is SEJNFWIEZHSBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C27H29N7.3C26H27N7/c1-20-6-5-8-25(32-20)22-18-30-27(31-19-22)34-14-12-33(13-15-34)11-4-3-7-21-17-29-26-10-9-23(28-2)16-24(21)26;1-20-6-8-25(29-16-20)22-18-31-27(32-19-22)34-13-11-33(12-14-34)10-4-3-5-21-17-30-26-9-7-23(28-2)15-24(21)26;1-20-6-7-21(16-29-20)23-18-31-27(32-19-23)34-13-11-33(12-14-34)10-4-3-5-22-17-30-26-9-8-24(28-2)15-25(22)26;1-19-5-3-7-24(31-19)21-17-29-26(30-18-21)33-13-11-32(12-14-33)10-4-6-20-16-28-25-9-8-22(27-2)15-23(20)25;1-19-5-7-24(28-15-19)21-17-30-26(31-18-21)33-12-10-32(11-13-33)9-3-4-20-16-29-25-8-6-22(27-2)14-23(20)25;1-19-5-6-20(15-28-19)22-17-30-26(31-18-22)33-12-10-32(11-13-33)9-3-4-21-16-29-25-8-7-23(27-2)14-24(21)25/h5-6,8-10,16-19,29H,3-4,7,11-15H2,1H3;2*6-9,15-19,30H,3-5,10-14H2,1H3;3,5,7-9,15-18,28H,4,6,10-14H2,1H3;2*5-8,14-18,29H,3-4,9-13H2,1H3.

What are the key properties of 5-isocyano-3-[4-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[3-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole?

5-isocyano-3-[4-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[3-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole has a molecular weight of 2667.39 g/mol, XLogP of 28.97, 39 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-isocyano-3-[4-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[3-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 160811700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).