3-[9-(8-fluoro-3,4-dihydro-2H-chromen-2-yl)-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile

C22H14FN7O2 — CID 67123718

About 3-[9-(8-fluoro-3,4-dihydro-2H-chromen-2-yl)-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile

3-[9-(8-fluoro-3,4-dihydro-2H-chromen-2-yl)-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile (PubChem CID 67123718) has the molecular formula C22H14FN7O2 and a molecular weight of 427.40 g/mol. Its IUPAC name is 3-[9-(8-fluoro-3,4-dihydro-2H-chromen-2-yl)-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 3-[9-(8-fluoro-3,4-dihydro-2H-chromen-2-yl)-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
• PubChem CID: 67123718
• Molecular Formula: C22H14FN7O2
• Molecular Weight: 427.40 g/mol
• Exact Mass: 427.12
• IUPAC Name: 3-[9-(8-fluoro-3,4-dihydro-2H-chromen-2-yl)-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
• SMILES: N#Cc1ccn2ncc(-c3ncc4[nH]c(=O)n(C5CCc6cccc(F)c6O5)c4n3)c2c1
• InChI: InChI=1S/C22H14FN7O2/c23-15-3-1-2-13-4-5-18(32-19(13)15)30-21-16(27-22(30)31)11-25-20(28-21)14-10-26-29-7-6-12(9-24)8-17(14)29/h1-3,6-8,10-11,18H,4-5H2,(H,27,31)
• InChIKey: JROVLGABRJVILF-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 113.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.40
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[9-(8-fluoro-3,4-dihydro-2H-chromen-2-yl)-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile?

The IUPAC name of 3-[9-(8-fluoro-3,4-dihydro-2H-chromen-2-yl)-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile (CID 67123718) is 3-[9-(8-fluoro-3,4-dihydro-2H-chromen-2-yl)-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile.

What is the SMILES notation for 3-[9-(8-fluoro-3,4-dihydro-2H-chromen-2-yl)-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile?

The canonical SMILES for 3-[9-(8-fluoro-3,4-dihydro-2H-chromen-2-yl)-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile is N#Cc1ccn2ncc(-c3ncc4[nH]c(=O)n(C5CCc6cccc(F)c6O5)c4n3)c2c1.

What is the InChIKey of 3-[9-(8-fluoro-3,4-dihydro-2H-chromen-2-yl)-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile?

The InChIKey is JROVLGABRJVILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN7O2/c23-15-3-1-2-13-4-5-18(32-19(13)15)30-21-16(27-22(30)31)11-25-20(28-21)14-10-26-29-7-6-12(9-24)8-17(14)29/h1-3,6-8,10-11,18H,4-5H2,(H,27,31).

What are the key properties of 3-[9-(8-fluoro-3,4-dihydro-2H-chromen-2-yl)-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile?

3-[9-(8-fluoro-3,4-dihydro-2H-chromen-2-yl)-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile has a molecular weight of 427.40 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(8-fluoro-3,4-dihydro-2H-chromen-2-yl)-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile is sourced from PubChem (CID 67123718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).