2-cyclopropyl-1-[4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one

C24H26FN7O2 — CID 155204310

About 2-cyclopropyl-1-[4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one

2-cyclopropyl-1-[4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 155204310) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

• Compound Name: 2-cyclopropyl-1-[4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
• PubChem CID: 155204310
• Molecular Formula: C24H26FN7O2
• Molecular Weight: 463.52 g/mol
• Exact Mass: 463.21
• IUPAC Name: 2-cyclopropyl-1-[4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
• SMILES: CC(C)(CF)c1coc(-n2c3nc(Nc4ccc5c(c4)CNCC5)ncc3c(=O)n2C2CC2)n1
• InChI: InChI=1S/C24H26FN7O2/c1-24(2,13-25)19-12-34-23(29-19)32-20-18(21(33)31(32)17-5-6-17)11-27-22(30-20)28-16-4-3-14-7-8-26-10-15(14)9-16/h3-4,9,11-12,17,26H,5-8,10,13H2,1-2H3,(H,27,28,30)
• InChIKey: ROKWZDFNROLTPF-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 102.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.52
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one?

The IUPAC name of 2-cyclopropyl-1-[4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one (CID 155204310) is 2-cyclopropyl-1-[4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one.

What is the SMILES notation for 2-cyclopropyl-1-[4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one?

The canonical SMILES for 2-cyclopropyl-1-[4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one is CC(C)(CF)c1coc(-n2c3nc(Nc4ccc5c(c4)CNCC5)ncc3c(=O)n2C2CC2)n1.

What is the InChIKey of 2-cyclopropyl-1-[4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one?

The InChIKey is ROKWZDFNROLTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-24(2,13-25)19-12-34-23(29-19)32-20-18(21(33)31(32)17-5-6-17)11-27-22(30-20)28-16-4-3-14-7-8-26-10-15(14)9-16/h3-4,9,11-12,17,26H,5-8,10,13H2,1-2H3,(H,27,28,30).

What are the key properties of 2-cyclopropyl-1-[4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one?

2-cyclopropyl-1-[4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 463.52 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-1-[4-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 155204310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).