N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]propanamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]prop-2-enamide

C₆₆H₇₄N₂₄O₆S₂ — CID 158896172

About N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]propanamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]prop-2-enamide

N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]propanamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]prop-2-enamide (PubChem CID 158896172) has the molecular formula C₆₆H₇₄N₂₄O₆S₂ and a molecular weight of 1363.61 g/mol. Its IUPAC name is N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]propanamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]propanamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]prop-2-enamide
• PubChem CID: 158896172
• Molecular Formula: C₆₆H₇₄N₂₄O₆S₂
• Molecular Weight: 1363.61 g/mol
• Exact Mass: 1362.57
• IUPAC Name: N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]propanamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cccc(-c2nn(C(C)C)c3ncnc(N)c23)c1.C=CS(=O)(=O)Nc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1.C=CS(=O)(=O)Nc1cccc(-c2nn(C(C)C)c3ncnc(N)c23)c1.CCC(=O)Nc1cccc(-c2nn(C(C)C)c3ncnc(N)c23)c1
• InChI: InChI=1S/C17H20N6O.C17H18N6O.2C16H18N6O2S/c2*1-4-13(24)21-12-7-5-6-11(8-12)15-14-16(18)19-9-20-17(14)23(22-15)10(2)3;1-4-25(23,24)21-12-7-5-11(6-8-12)14-13-15(17)18-9-19-16(13)22(20-14)10(2)3;1-4-25(23,24)21-12-7-5-6-11(8-12)14-13-15(17)18-9-19-16(13)22(20-14)10(2)3/h5-10H,4H2,1-3H3,(H,21,24)(H2,18,19,20);4-10H,1H2,2-3H3,(H,21,24)(H2,18,19,20);2*4-10,21H,1H2,2-3H3,(H2,17,18,19)
• InChIKey: JEVYKTXGSKRMPV-UHFFFAOYSA-N
• XLogP: 10.87
• TPSA: 429.02 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1363.61
LogP ≤ 5	10.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]propanamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]prop-2-enamide?

The IUPAC name of N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]propanamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]prop-2-enamide (CID 158896172) is N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]propanamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]prop-2-enamide.

What is the SMILES notation for N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]propanamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]prop-2-enamide?

The canonical SMILES for N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]propanamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2nn(C(C)C)c3ncnc(N)c23)c1.C=CS(=O)(=O)Nc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1.C=CS(=O)(=O)Nc1cccc(-c2nn(C(C)C)c3ncnc(N)c23)c1.CCC(=O)Nc1cccc(-c2nn(C(C)C)c3ncnc(N)c23)c1.

What is the InChIKey of N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]propanamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]prop-2-enamide?

The InChIKey is JEVYKTXGSKRMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O.C17H18N6O.2C16H18N6O2S/c2*1-4-13(24)21-12-7-5-6-11(8-12)15-14-16(18)19-9-20-17(14)23(22-15)10(2)3;1-4-25(23,24)21-12-7-5-11(6-8-12)14-13-15(17)18-9-19-16(13)22(20-14)10(2)3;1-4-25(23,24)21-12-7-5-6-11(8-12)14-13-15(17)18-9-19-16(13)22(20-14)10(2)3/h5-10H,4H2,1-3H3,(H,21,24)(H2,18,19,20);4-10H,1H2,2-3H3,(H,21,24)(H2,18,19,20);2*4-10,21H,1H2,2-3H3,(H2,17,18,19).

What are the key properties of N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]propanamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]prop-2-enamide?

N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]propanamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]prop-2-enamide has a molecular weight of 1363.61 g/mol, XLogP of 10.87, 18 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethenesulfonamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]propanamide;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 158896172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158896172 — identifiers, structure, computed properties (public domain)

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