2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one

C23H18FN7O — CID 151901864

About 2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one

2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one (PubChem CID 151901864) has the molecular formula C23H18FN7O and a molecular weight of 427.44 g/mol. Its IUPAC name is 2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one
• PubChem CID: 151901864
• Molecular Formula: C23H18FN7O
• Molecular Weight: 427.44 g/mol
• Exact Mass: 427.16
• IUPAC Name: 2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one
• SMILES: Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCN3Cc4ccc(F)cc4C3=O)nc12
• InChI: InChI=1S/C23H18FN7O/c24-15-3-1-14-11-30(23(32)17(14)10-15)7-8-31-12-18-16-4-2-13(19-5-6-26-28-19)9-20(16)27-22(25)21(18)29-31/h1-6,9-10,12H,7-8,11H2,(H2,25,27)(H,26,28)
• InChIKey: SSXUTBOBLSSJDZ-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 105.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.44
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one?

The IUPAC name of 2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one (CID 151901864) is 2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one.

What is the SMILES notation for 2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one?

The canonical SMILES for 2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one is Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCN3Cc4ccc(F)cc4C3=O)nc12.

What is the InChIKey of 2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one?

The InChIKey is SSXUTBOBLSSJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O/c24-15-3-1-14-11-30(23(32)17(14)10-15)7-8-31-12-18-16-4-2-13(19-5-6-26-28-19)9-20(16)27-22(25)21(18)29-31/h1-6,9-10,12H,7-8,11H2,(H2,25,27)(H,26,28).

What are the key properties of 2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one?

2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one has a molecular weight of 427.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-6-fluoro-3H-isoindol-1-one is sourced from PubChem (CID 151901864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).