5-fluoro-3-methyl-2-[5-methyl-8-(1-methylpiperidin-3-yl)-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl]phenol

C20H26FN5O — CID 171826503

About 5-fluoro-3-methyl-2-[5-methyl-8-(1-methylpiperidin-3-yl)-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl]phenol

5-fluoro-3-methyl-2-[5-methyl-8-(1-methylpiperidin-3-yl)-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl]phenol (PubChem CID 171826503) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-fluoro-3-methyl-2-[5-methyl-8-(1-methylpiperidin-3-yl)-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl]phenol.

Molecular Properties

• Compound Name: 5-fluoro-3-methyl-2-[5-methyl-8-(1-methylpiperidin-3-yl)-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl]phenol
• PubChem CID: 171826503
• Molecular Formula: C20H26FN5O
• Molecular Weight: 371.46 g/mol
• Exact Mass: 371.21
• IUPAC Name: 5-fluoro-3-methyl-2-[5-methyl-8-(1-methylpiperidin-3-yl)-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl]phenol
• SMILES: Cc1cc(F)cc(O)c1-c1cc2c(nn1)N(C1CCCN(C)C1)CCN2C
• InChI: InChI=1S/C20H26FN5O/c1-13-9-14(21)10-18(27)19(13)16-11-17-20(23-22-16)26(8-7-25(17)3)15-5-4-6-24(2)12-15/h9-11,15,27H,4-8,12H2,1-3H3
• InChIKey: AXBNAMPZTKWJBW-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 55.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.46
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-2-[5-methyl-8-(1-methylpiperidin-3-yl)-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl]phenol?

The IUPAC name of 5-fluoro-3-methyl-2-[5-methyl-8-(1-methylpiperidin-3-yl)-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl]phenol (CID 171826503) is 5-fluoro-3-methyl-2-[5-methyl-8-(1-methylpiperidin-3-yl)-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl]phenol.

What is the SMILES notation for 5-fluoro-3-methyl-2-[5-methyl-8-(1-methylpiperidin-3-yl)-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl]phenol?

The canonical SMILES for 5-fluoro-3-methyl-2-[5-methyl-8-(1-methylpiperidin-3-yl)-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl]phenol is Cc1cc(F)cc(O)c1-c1cc2c(nn1)N(C1CCCN(C)C1)CCN2C.

What is the InChIKey of 5-fluoro-3-methyl-2-[5-methyl-8-(1-methylpiperidin-3-yl)-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl]phenol?

The InChIKey is AXBNAMPZTKWJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-13-9-14(21)10-18(27)19(13)16-11-17-20(23-22-16)26(8-7-25(17)3)15-5-4-6-24(2)12-15/h9-11,15,27H,4-8,12H2,1-3H3.

What are the key properties of 5-fluoro-3-methyl-2-[5-methyl-8-(1-methylpiperidin-3-yl)-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl]phenol?

5-fluoro-3-methyl-2-[5-methyl-8-(1-methylpiperidin-3-yl)-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl]phenol has a molecular weight of 371.46 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-3-methyl-2-[5-methyl-8-(1-methylpiperidin-3-yl)-6,7-dihydropyrazino[2,3-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 171826503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).