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

C25H28N8O2 — CID 137464234

About 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-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-3-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 137464234) 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-3-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-3-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
• PubChem CID: 137464234
• 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-3-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
• SMILES: C=CCn1c(=O)c2cnc(Nc3cnc4c(c3)CN(C)CC4)nc2n1-c1cccc(C(C)(C)O)n1
• InChI: InChI=1S/C25H28N8O2/c1-5-10-32-23(34)18-14-27-24(28-17-12-16-15-31(4)11-9-19(16)26-13-17)30-22(18)33(32)21-8-6-7-20(29-21)25(2,3)35/h5-8,12-14,35H,1,9-11,15H2,2-4H3,(H,27,28,30)
• InChIKey: HMBWORYDEKEWDM-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-3-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-3-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one (CID 137464234) is 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-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-3-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-3-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one is C=CCn1c(=O)c2cnc(Nc3cnc4c(c3)CN(C)CC4)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-3-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one?

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

What are the key properties of 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-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-3-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-3-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 137464234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).