4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one

C21H22N6O3 — CID 23090602

About 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one

4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one (PubChem CID 23090602) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one.

Molecular Properties

• Compound Name: 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one
• PubChem CID: 23090602
• Molecular Formula: C21H22N6O3
• Molecular Weight: 406.45 g/mol
• Exact Mass: 406.18
• IUPAC Name: 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one
• SMILES: COc1ccc(-n2nc(C(=O)N3CCN(C)C(=O)C3)cc2-c2cc(C)ccn2)cn1
• InChI: InChI=1S/C21H22N6O3/c1-14-6-7-22-16(10-14)18-11-17(21(29)26-9-8-25(2)20(28)13-26)24-27(18)15-4-5-19(30-3)23-12-15/h4-7,10-12H,8-9,13H2,1-3H3
• InChIKey: STOJIADHSYBMTP-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 93.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.45
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one?

The IUPAC name of 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one (CID 23090602) is 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one.

What is the SMILES notation for 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one?

The canonical SMILES for 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one is COc1ccc(-n2nc(C(=O)N3CCN(C)C(=O)C3)cc2-c2cc(C)ccn2)cn1.

What is the InChIKey of 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one?

The InChIKey is STOJIADHSYBMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-14-6-7-22-16(10-14)18-11-17(21(29)26-9-8-25(2)20(28)13-26)24-27(18)15-4-5-19(30-3)23-12-15/h4-7,10-12H,8-9,13H2,1-3H3.

What are the key properties of 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one?

4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one has a molecular weight of 406.45 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 23090602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).