[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone

C25H25FN8O — CID 122351406

About [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122351406) has the molecular formula C25H25FN8O and a molecular weight of 472.53 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• PubChem CID: 122351406
• Molecular Formula: C25H25FN8O
• Molecular Weight: 472.53 g/mol
• Exact Mass: 472.21
• IUPAC Name: [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• SMILES: Cc1ccc(Nc2ccc(N3CCN(C(=O)c4cc(-c5ccc(F)cc5)nn4C)CC3)nn2)nc1
• InChI: InChI=1S/C25H25FN8O/c1-17-3-8-22(27-16-17)28-23-9-10-24(30-29-23)33-11-13-34(14-12-33)25(35)21-15-20(31-32(21)2)18-4-6-19(26)7-5-18/h3-10,15-16H,11-14H2,1-2H3,(H,27,28,29)
• InChIKey: AXUMGVBVHGIXLN-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 92.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.53
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

The IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (CID 122351406) is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

What is the SMILES notation for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

The canonical SMILES for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is Cc1ccc(Nc2ccc(N3CCN(C(=O)c4cc(-c5ccc(F)cc5)nn4C)CC3)nn2)nc1.

What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

The InChIKey is AXUMGVBVHGIXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8O/c1-17-3-8-22(27-16-17)28-23-9-10-24(30-29-23)33-11-13-34(14-12-33)25(35)21-15-20(31-32(21)2)18-4-6-19(26)7-5-18/h3-10,15-16H,11-14H2,1-2H3,(H,27,28,29).

What are the key properties of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 472.53 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122351406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).