2-[5-[4-[6-[difluoro(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol

C25H30F2N6O — CID 72539347

About 2-[5-[4-[6-[difluoro(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol

2-[5-[4-[6-[difluoro(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol (PubChem CID 72539347) has the molecular formula C25H30F2N6O and a molecular weight of 468.55 g/mol. Its IUPAC name is 2-[5-[4-[6-[difluoro(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[5-[4-[6-[difluoro(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
• PubChem CID: 72539347
• Molecular Formula: C25H30F2N6O
• Molecular Weight: 468.55 g/mol
• Exact Mass: 468.24
• IUPAC Name: 2-[5-[4-[6-[difluoro(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
• SMILES: Cc1c(N2CCN(c3cnc(C(C)(C)O)cn3)C(C)C2)nnc(C(F)(F)c2ccccc2)c1C
• InChI: InChI=1S/C25H30F2N6O/c1-16-15-32(11-12-33(16)21-14-28-20(13-29-21)24(4,5)34)23-18(3)17(2)22(30-31-23)25(26,27)19-9-7-6-8-10-19/h6-10,13-14,16,34H,11-12,15H2,1-5H3
• InChIKey: BZAYMFPGCMDAFM-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.55
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[6-[difluoro(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?

The IUPAC name of 2-[5-[4-[6-[difluoro(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol (CID 72539347) is 2-[5-[4-[6-[difluoro(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol.

What is the SMILES notation for 2-[5-[4-[6-[difluoro(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?

The canonical SMILES for 2-[5-[4-[6-[difluoro(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol is Cc1c(N2CCN(c3cnc(C(C)(C)O)cn3)C(C)C2)nnc(C(F)(F)c2ccccc2)c1C.

What is the InChIKey of 2-[5-[4-[6-[difluoro(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?

The InChIKey is BZAYMFPGCMDAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N6O/c1-16-15-32(11-12-33(16)21-14-28-20(13-29-21)24(4,5)34)23-18(3)17(2)22(30-31-23)25(26,27)19-9-7-6-8-10-19/h6-10,13-14,16,34H,11-12,15H2,1-5H3.

What are the key properties of 2-[5-[4-[6-[difluoro(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?

2-[5-[4-[6-[difluoro(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol has a molecular weight of 468.55 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[4-[6-[difluoro(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol is sourced from PubChem (CID 72539347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).