[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone

C₇₃H₇₃F₄N₂₁O₄ — CID 159632316

About [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone

[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone (PubChem CID 159632316) has the molecular formula C₇₃H₇₃F₄N₂₁O₄ and a molecular weight of 1384.52 g/mol. Its IUPAC name is [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone.

Molecular Properties

• Compound Name: [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone
• PubChem CID: 159632316
• Molecular Formula: C₇₃H₇₃F₄N₂₁O₄
• Molecular Weight: 1384.52 g/mol
• Exact Mass: 1383.61
• IUPAC Name: [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone
• SMILES: COc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCC(N(C)C)CC5)c(F)c4)cnc3N)[nH]c2c1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1-c1nc2ccc(C(F)(F)F)cc2[nH]1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1-c1nc2ccccc2[nH]1
• InChI: InChI=1S/C26H28FN7O2.C24H22F3N7O.C23H23N7O/c1-33(2)16-8-10-34(11-9-16)26(35)18-6-4-15(12-19(18)27)22-14-29-24(28)23(30-22)25-31-20-7-5-17(36-3)13-21(20)32-25;25-24(26,27)16-6-7-17-18(12-16)33-22(32-17)20-21(28)30-13-19(31-20)14-2-4-15(5-3-14)23(35)34-10-1-8-29-9-11-34;24-21-20(22-28-17-4-1-2-5-18(17)29-22)27-19(14-26-21)15-6-8-16(9-7-15)23(31)30-12-3-10-25-11-13-30/h4-7,12-14,16H,8-11H2,1-3H3,(H2,28,29)(H,31,32);2-7,12-13,29H,1,8-11H2,(H2,28,30)(H,32,33);1-2,4-9,14,25H,3,10-13H2,(H2,24,26)(H,28,29)
• InChIKey: MPGZJSCOYWWBCS-UHFFFAOYSA-N
• XLogP: 10.01
• TPSA: 338.90 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1384.52
LogP ≤ 5	10.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone?

The IUPAC name of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone (CID 159632316) is [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone.

What is the SMILES notation for [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone?

The canonical SMILES for [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone is COc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCC(N(C)C)CC5)c(F)c4)cnc3N)[nH]c2c1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1-c1nc2ccc(C(F)(F)F)cc2[nH]1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1-c1nc2ccccc2[nH]1.

What is the InChIKey of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone?

The InChIKey is MPGZJSCOYWWBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2.C24H22F3N7O.C23H23N7O/c1-33(2)16-8-10-34(11-9-16)26(35)18-6-4-15(12-19(18)27)22-14-29-24(28)23(30-22)25-31-20-7-5-17(36-3)13-21(20)32-25;25-24(26,27)16-6-7-17-18(12-16)33-22(32-17)20-21(28)30-13-19(31-20)14-2-4-15(5-3-14)23(35)34-10-1-8-29-9-11-34;24-21-20(22-28-17-4-1-2-5-18(17)29-22)27-19(14-26-21)15-6-8-16(9-7-15)23(31)30-12-3-10-25-11-13-30/h4-7,12-14,16H,8-11H2,1-3H3,(H2,28,29)(H,31,32);2-7,12-13,29H,1,8-11H2,(H2,28,30)(H,32,33);1-2,4-9,14,25H,3,10-13H2,(H2,24,26)(H,28,29).

What are the key properties of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone?

[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone has a molecular weight of 1384.52 g/mol, XLogP of 10.01, 11 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 159632316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159632316 — identifiers, structure, computed properties (public domain)

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