6-[(1-methylindazol-5-yl)amino]-1-[6-(piperidin-4-ylamino)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one

C26H28N10O — CID 172628754

About 6-[(1-methylindazol-5-yl)amino]-1-[6-(piperidin-4-ylamino)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one

6-[(1-methylindazol-5-yl)amino]-1-[6-(piperidin-4-ylamino)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 172628754) has the molecular formula C26H28N10O and a molecular weight of 496.58 g/mol. Its IUPAC name is 6-[(1-methylindazol-5-yl)amino]-1-[6-(piperidin-4-ylamino)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

• Compound Name: 6-[(1-methylindazol-5-yl)amino]-1-[6-(piperidin-4-ylamino)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
• PubChem CID: 172628754
• Molecular Formula: C26H28N10O
• Molecular Weight: 496.58 g/mol
• Exact Mass: 496.24
• IUPAC Name: 6-[(1-methylindazol-5-yl)amino]-1-[6-(piperidin-4-ylamino)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
• SMILES: C=CCn1c(=O)c2cnc(Nc3ccc4c(cnn4C)c3)nc2n1-c1cccc(NC2CCNCC2)n1
• InChI: InChI=1S/C26H28N10O/c1-3-13-35-25(37)20-16-28-26(31-19-7-8-21-17(14-19)15-29-34(21)2)33-24(20)36(35)23-6-4-5-22(32-23)30-18-9-11-27-12-10-18/h3-8,14-16,18,27H,1,9-13H2,2H3,(H,30,32)(H,28,31,33)
• InChIKey: AZGRGWKSEBTACX-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 119.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.58
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylindazol-5-yl)amino]-1-[6-(piperidin-4-ylamino)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one?

The IUPAC name of 6-[(1-methylindazol-5-yl)amino]-1-[6-(piperidin-4-ylamino)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one (CID 172628754) is 6-[(1-methylindazol-5-yl)amino]-1-[6-(piperidin-4-ylamino)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one.

What is the SMILES notation for 6-[(1-methylindazol-5-yl)amino]-1-[6-(piperidin-4-ylamino)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one?

The canonical SMILES for 6-[(1-methylindazol-5-yl)amino]-1-[6-(piperidin-4-ylamino)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one is C=CCn1c(=O)c2cnc(Nc3ccc4c(cnn4C)c3)nc2n1-c1cccc(NC2CCNCC2)n1.

What is the InChIKey of 6-[(1-methylindazol-5-yl)amino]-1-[6-(piperidin-4-ylamino)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one?

The InChIKey is AZGRGWKSEBTACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N10O/c1-3-13-35-25(37)20-16-28-26(31-19-7-8-21-17(14-19)15-29-34(21)2)33-24(20)36(35)23-6-4-5-22(32-23)30-18-9-11-27-12-10-18/h3-8,14-16,18,27H,1,9-13H2,2H3,(H,30,32)(H,28,31,33).

What are the key properties of 6-[(1-methylindazol-5-yl)amino]-1-[6-(piperidin-4-ylamino)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one?

6-[(1-methylindazol-5-yl)amino]-1-[6-(piperidin-4-ylamino)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 496.58 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-methylindazol-5-yl)amino]-1-[6-(piperidin-4-ylamino)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 172628754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).