5-(2-fluoro-6-methylphenyl)-3-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one

C21H19FN6O — CID 167062385

About 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one

5-(2-fluoro-6-methylphenyl)-3-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 167062385) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

• Compound Name: 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one
• PubChem CID: 167062385
• Molecular Formula: C21H19FN6O
• Molecular Weight: 390.42 g/mol
• Exact Mass: 390.16
• IUPAC Name: 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one
• SMILES: Cc1cccc(F)c1-n1nc2c(-c3cnc4c(c3)CN(C)CC4)n[nH]c2cc1=O
• InChI: InChI=1S/C21H19FN6O/c1-12-4-3-5-15(22)21(12)28-18(29)9-17-20(26-28)19(25-24-17)13-8-14-11-27(2)7-6-16(14)23-10-13/h3-5,8-10,24H,6-7,11H2,1-2H3
• InChIKey: QAMZFWDPAQPASY-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.42
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one?

The IUPAC name of 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 167062385) is 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one.

What is the SMILES notation for 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one?

The canonical SMILES for 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one is Cc1cccc(F)c1-n1nc2c(-c3cnc4c(c3)CN(C)CC4)n[nH]c2cc1=O.

What is the InChIKey of 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one?

The InChIKey is QAMZFWDPAQPASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-12-4-3-5-15(22)21(12)28-18(29)9-17-20(26-28)19(25-24-17)13-8-14-11-27(2)7-6-16(14)23-10-13/h3-5,8-10,24H,6-7,11H2,1-2H3.

What are the key properties of 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one?

5-(2-fluoro-6-methylphenyl)-3-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 390.42 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 167062385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).