[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

C21H22N6O — CID 97141987

About [(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 97141987) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is [(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

• Compound Name: [(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
• PubChem CID: 97141987
• Molecular Formula: C21H22N6O
• Molecular Weight: 374.45 g/mol
• Exact Mass: 374.19
• IUPAC Name: [(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
• SMILES: Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)c4cnc5ccnn5c4C)C3)nc12
• InChI: InChI=1S/C21H22N6O/c1-13-5-3-7-17-19(13)25-20(24-17)15-6-4-10-26(12-15)21(28)16-11-22-18-8-9-23-27(18)14(16)2/h3,5,7-9,11,15H,4,6,10,12H2,1-2H3,(H,24,25)/t15-/m1/s1
• InChIKey: VHEOXMBJEOJEIN-OAHLLOKOSA-N
• XLogP: 3.24
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.45
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?

The IUPAC name of [(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 97141987) is [(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.

What is the SMILES notation for [(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?

The canonical SMILES for [(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)c4cnc5ccnn5c4C)C3)nc12.

What is the InChIKey of [(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?

The InChIKey is VHEOXMBJEOJEIN-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N6O/c1-13-5-3-7-17-19(13)25-20(24-17)15-6-4-10-26(12-15)21(28)16-11-22-18-8-9-23-27(18)14(16)2/h3,5,7-9,11,15H,4,6,10,12H2,1-2H3,(H,24,25)/t15-/m1/s1.

What are the key properties of [(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?

[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 374.45 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 97141987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).