1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one

C25H28N8O2 — CID 137463818

About 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one

1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 137463818) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

• Compound Name: 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
• PubChem CID: 137463818
• Molecular Formula: C25H28N8O2
• Molecular Weight: 472.55 g/mol
• Exact Mass: 472.23
• IUPAC Name: 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
• SMILES: C=CCn1c(=O)c2cnc(Nc3ccc4c(n3)CCN(C)C4)nc2n1-c1cccc(C(C)(C)O)n1
• InChI: InChI=1S/C25H28N8O2/c1-5-12-32-23(34)17-14-26-24(29-20-10-9-16-15-31(4)13-11-18(16)27-20)30-22(17)33(32)21-8-6-7-19(28-21)25(2,3)35/h5-10,14,35H,1,11-13,15H2,2-4H3,(H,26,27,29,30)
• InChIKey: AIIQGACKJFCVPT-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 113.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.55
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one?

The IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one (CID 137463818) is 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one.

What is the SMILES notation for 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one?

The canonical SMILES for 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one is C=CCn1c(=O)c2cnc(Nc3ccc4c(n3)CCN(C)C4)nc2n1-c1cccc(C(C)(C)O)n1.

What is the InChIKey of 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one?

The InChIKey is AIIQGACKJFCVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-5-12-32-23(34)17-14-26-24(29-20-10-9-16-15-31(4)13-11-18(16)27-20)30-22(17)33(32)21-8-6-7-19(28-21)25(2,3)35/h5-10,14,35H,1,11-13,15H2,2-4H3,(H,26,27,29,30).

What are the key properties of 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one?

1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 472.55 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 137463818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).