N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C30H26N8O2S — CID 25070904

About N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 25070904) has the molecular formula C30H26N8O2S and a molecular weight of 562.66 g/mol. Its IUPAC name is N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 25070904
• Molecular Formula: C30H26N8O2S
• Molecular Weight: 562.66 g/mol
• Exact Mass: 562.19
• IUPAC Name: N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
• SMILES: Cc1cc2nccc(N3CCC(c4nc(C(=O)Nc5nc6ccc(C(=O)c7ccccc7)cc6[nH]5)cs4)CC3)n2n1
• InChI: InChI=1S/C30H26N8O2S/c1-18-15-25-31-12-9-26(38(25)36-18)37-13-10-20(11-14-37)29-32-24(17-41-29)28(40)35-30-33-22-8-7-21(16-23(22)34-30)27(39)19-5-3-2-4-6-19/h2-9,12,15-17,20H,10-11,13-14H2,1H3,(H2,33,34,35,40)
• InChIKey: LINPSPAAKXXUCT-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 121.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.66
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 25070904) is N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is Cc1cc2nccc(N3CCC(c4nc(C(=O)Nc5nc6ccc(C(=O)c7ccccc7)cc6[nH]5)cs4)CC3)n2n1.

What is the InChIKey of N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is LINPSPAAKXXUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N8O2S/c1-18-15-25-31-12-9-26(38(25)36-18)37-13-10-20(11-14-37)29-32-24(17-41-29)28(40)35-30-33-22-8-7-21(16-23(22)34-30)27(39)19-5-3-2-4-6-19/h2-9,12,15-17,20H,10-11,13-14H2,1H3,(H2,33,34,35,40).

What are the key properties of N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?

N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 562.66 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25070904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).