1-(2,3-dihydro-1H-inden-2-yl)-3-(5-fluoro-6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine

C20H17FN6O — CID 118026224

About 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-fluoro-6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(2,3-dihydro-1H-inden-2-yl)-3-(5-fluoro-6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 118026224) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-fluoro-6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-fluoro-6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 118026224
• Molecular Formula: C20H17FN6O
• Molecular Weight: 376.40 g/mol
• Exact Mass: 376.14
• IUPAC Name: 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-fluoro-6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: COc1ncc(-c2nn(C3Cc4ccccc4C3)c3ncnc(N)c23)cc1F
• InChI: InChI=1S/C20H17FN6O/c1-28-20-15(21)8-13(9-23-20)17-16-18(22)24-10-25-19(16)27(26-17)14-6-11-4-2-3-5-12(11)7-14/h2-5,8-10,14H,6-7H2,1H3,(H2,22,24,25)
• InChIKey: WCNHGZQIGXSGRW-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 91.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.40
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-fluoro-6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-fluoro-6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 118026224) is 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-fluoro-6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-fluoro-6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-fluoro-6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ncc(-c2nn(C3Cc4ccccc4C3)c3ncnc(N)c23)cc1F.

What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-fluoro-6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is WCNHGZQIGXSGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-28-20-15(21)8-13(9-23-20)17-16-18(22)24-10-25-19(16)27(26-17)14-6-11-4-2-3-5-12(11)7-14/h2-5,8-10,14H,6-7H2,1H3,(H2,22,24,25).

What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-fluoro-6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine?

1-(2,3-dihydro-1H-inden-2-yl)-3-(5-fluoro-6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 376.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-fluoro-6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 118026224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).