(4R)-4-(2,5-difluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C17H13F2N5O2 — CID 135878816

About (4R)-4-(2,5-difluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-4-(2,5-difluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135878816) has the molecular formula C17H13F2N5O2 and a molecular weight of 357.32 g/mol. Its IUPAC name is (4R)-4-(2,5-difluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

• Compound Name: (4R)-4-(2,5-difluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• PubChem CID: 135878816
• Molecular Formula: C17H13F2N5O2
• Molecular Weight: 357.32 g/mol
• Exact Mass: 357.10
• IUPAC Name: (4R)-4-(2,5-difluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• SMILES: Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1cc(F)ccc1F)CC(=O)N2
• InChI: InChI=1S/C17H13F2N5O2/c1-8-16-11(10-6-9(18)2-3-12(10)19)7-15(26)20-17(16)24(23-8)13-4-5-14(25)22-21-13/h2-6,11H,7H2,1H3,(H,20,26)(H,22,25)/t11-/m0/s1
• InChIKey: VXUBHSHQGLABQA-NSHDSACASA-N
• XLogP: 2.02
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.32
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,5-difluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The IUPAC name of (4R)-4-(2,5-difluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135878816) is (4R)-4-(2,5-difluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

What is the SMILES notation for (4R)-4-(2,5-difluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The canonical SMILES for (4R)-4-(2,5-difluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1cc(F)ccc1F)CC(=O)N2.

What is the InChIKey of (4R)-4-(2,5-difluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The InChIKey is VXUBHSHQGLABQA-NSHDSACASA-N. The full InChI is InChI=1S/C17H13F2N5O2/c1-8-16-11(10-6-9(18)2-3-12(10)19)7-15(26)20-17(16)24(23-8)13-4-5-14(25)22-21-13/h2-6,11H,7H2,1H3,(H,20,26)(H,22,25)/t11-/m0/s1.

What are the key properties of (4R)-4-(2,5-difluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

(4R)-4-(2,5-difluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 357.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(2,5-difluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135878816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).