6-[(6S)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one

C23H20FN5O2 — CID 135975142

About 6-[(6S)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one

6-[(6S)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one (PubChem CID 135975142) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 6-[(6S)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one.

Molecular Properties

• Compound Name: 6-[(6S)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
• PubChem CID: 135975142
• Molecular Formula: C23H20FN5O2
• Molecular Weight: 417.44 g/mol
• Exact Mass: 417.16
• IUPAC Name: 6-[(6S)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
• SMILES: Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NC[C@H](O)C3)ccc1=O
• InChI: InChI=1S/C23H20FN5O2/c1-14-4-2-3-5-19(14)29-20(31)11-10-18(26-29)21-22(15-6-8-16(24)9-7-15)27-28-13-17(30)12-25-23(21)28/h2-11,17,25,30H,12-13H2,1H3/t17-/m0/s1
• InChIKey: QXYRMVUWXFWUKP-KRWDZBQOSA-N
• XLogP: 3.00
• TPSA: 84.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.44
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(6S)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one?

The IUPAC name of 6-[(6S)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one (CID 135975142) is 6-[(6S)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one.

What is the SMILES notation for 6-[(6S)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one?

The canonical SMILES for 6-[(6S)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one is Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NC[C@H](O)C3)ccc1=O.

What is the InChIKey of 6-[(6S)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one?

The InChIKey is QXYRMVUWXFWUKP-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-14-4-2-3-5-19(14)29-20(31)11-10-18(26-29)21-22(15-6-8-16(24)9-7-15)27-28-13-17(30)12-25-23(21)28/h2-11,17,25,30H,12-13H2,1H3/t17-/m0/s1.

What are the key properties of 6-[(6S)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one?

6-[(6S)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one has a molecular weight of 417.44 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6S)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 135975142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).