[3-(5-fluoro-2-methoxyphenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone

C24H21FN4O2 — CID 146516310

About [3-(5-fluoro-2-methoxyphenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone

[3-(5-fluoro-2-methoxyphenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone (PubChem CID 146516310) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is [3-(5-fluoro-2-methoxyphenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone.

Molecular Properties

• Compound Name: [3-(5-fluoro-2-methoxyphenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
• PubChem CID: 146516310
• Molecular Formula: C24H21FN4O2
• Molecular Weight: 416.46 g/mol
• Exact Mass: 416.16
• IUPAC Name: [3-(5-fluoro-2-methoxyphenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
• SMILES: COc1ccc(F)cc1-c1c2c(nn1C)CN(C(=O)c1ccc3ncccc3c1)CC2
• InChI: InChI=1S/C24H21FN4O2/c1-28-23(19-13-17(25)6-8-22(19)31-2)18-9-11-29(14-21(18)27-28)24(30)16-5-7-20-15(12-16)4-3-10-26-20/h3-8,10,12-13H,9,11,14H2,1-2H3
• InChIKey: FWSSQIFHKJOAMP-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.46
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoro-2-methoxyphenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?

The IUPAC name of [3-(5-fluoro-2-methoxyphenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone (CID 146516310) is [3-(5-fluoro-2-methoxyphenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone.

What is the SMILES notation for [3-(5-fluoro-2-methoxyphenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?

The canonical SMILES for [3-(5-fluoro-2-methoxyphenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone is COc1ccc(F)cc1-c1c2c(nn1C)CN(C(=O)c1ccc3ncccc3c1)CC2.

What is the InChIKey of [3-(5-fluoro-2-methoxyphenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?

The InChIKey is FWSSQIFHKJOAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-28-23(19-13-17(25)6-8-22(19)31-2)18-9-11-29(14-21(18)27-28)24(30)16-5-7-20-15(12-16)4-3-10-26-20/h3-8,10,12-13H,9,11,14H2,1-2H3.

What are the key properties of [3-(5-fluoro-2-methoxyphenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?

[3-(5-fluoro-2-methoxyphenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone has a molecular weight of 416.46 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(5-fluoro-2-methoxyphenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 146516310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).