Sodium;2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;2-[[2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl]amino]acetic acid;methane;methyl 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)acetate;methyl 2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;hydroxide

C₆₉H₈₁N₃₀NaO₁₁ — CID 158520310

About Sodium;2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;2-[[2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl]amino]acetic acid;methane;methyl 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)acetate;methyl 2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;hydroxide

Sodium;2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;2-[[2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl]amino]acetic acid;methane;methyl 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)acetate;methyl 2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;hydroxide (PubChem CID 158520310) has the molecular formula C₆₉H₈₁N₃₀NaO₁₁ and a molecular weight of 1529.60 g/mol. Its IUPAC name is sodium;2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;2-[[2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl]amino]acetic acid;methane;methyl 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)acetate;methyl 2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;hydroxide.

Molecular Properties

• Compound Name: Sodium;2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;2-[[2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl]amino]acetic acid;methane;methyl 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)acetate;methyl 2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;hydroxide
• PubChem CID: 158520310
• Molecular Formula: C₆₉H₈₁N₃₀NaO₁₁
• Molecular Weight: 1529.60 g/mol
• Exact Mass: 1528.66
• IUPAC Name: sodium;2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;2-[[2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl]amino]acetic acid;methane;methyl 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)acetate;methyl 2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;hydroxide
• SMILES: C.CN(C)C=Nc1ncnc2c1cnn2CC(=O)O.COC(=O)Cn1ncc2c(N)ncnc21.COC(=O)Cn1ncc2c(N=CN(C)C)ncnc21.COc1ccc(C(NCCN(CC(=O)O)C(=O)Cn2ncc3c(N=CN(C)C)ncnc32)(c2ccccc2)c2ccccc2)cc1.Nc1ncnc2[nH]ncc12.[Na+].[OH-]
• InChI: InChI=1S/C34H36N8O4.C11H14N6O2.C10H12N6O2.C8H9N5O2.C5H5N5.CH4.Na.H2O/c1-40(2)24-37-32-29-20-39-42(33(29)36-23-35-32)21-30(43)41(22-31(44)45)19-18-38-34(25-10-6-4-7-11-25,26-12-8-5-9-13-26)27-14-16-28(46-3)17-15-27;1-16(2)7-14-10-8-4-15-17(5-9(18)19-3)11(8)13-6-12-10;1-15(2)6-13-9-7-3-14-16(4-8(17)18)10(7)12-5-11-9;1-15-6(14)3-13-8-5(2-12-13)7(9)10-4-11-8;6-4-3-1-9-10-5(3)8-2-7-4;;;/h4-17,20,23-24,38H,18-19,21-22H2,1-3H3,(H,44,45);4,6-7H,5H2,1-3H3;3,5-6H,4H2,1-2H3,(H,17,18);2,4H,3H2,1H3,(H2,9,10,11);1-2H,(H3,6,7,8,9,10);1H4;;1H2/q;;;;;;+1;/p-1
• InChIKey: HMDDZAZXZQRACV-UHFFFAOYSA-M
• XLogP: 0.88
• TPSA: 526.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1529.60
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Sodium;2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;2-[[2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl]amino]acetic acid;methane;methyl 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)acetate;methyl 2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;hydroxide?

The IUPAC name of Sodium;2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;2-[[2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl]amino]acetic acid;methane;methyl 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)acetate;methyl 2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;hydroxide (CID 158520310) is sodium;2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;2-[[2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl]amino]acetic acid;methane;methyl 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)acetate;methyl 2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;hydroxide.

What is the SMILES notation for Sodium;2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;2-[[2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl]amino]acetic acid;methane;methyl 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)acetate;methyl 2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;hydroxide?

The canonical SMILES for Sodium;2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;2-[[2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl]amino]acetic acid;methane;methyl 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)acetate;methyl 2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;hydroxide is C.CN(C)C=Nc1ncnc2c1cnn2CC(=O)O.COC(=O)Cn1ncc2c(N)ncnc21.COC(=O)Cn1ncc2c(N=CN(C)C)ncnc21.COc1ccc(C(NCCN(CC(=O)O)C(=O)Cn2ncc3c(N=CN(C)C)ncnc32)(c2ccccc2)c2ccccc2)cc1.Nc1ncnc2[nH]ncc12.[Na+].[OH-].

What is the InChIKey of Sodium;2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;2-[[2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl]amino]acetic acid;methane;methyl 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)acetate;methyl 2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;hydroxide?

The InChIKey is HMDDZAZXZQRACV-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H36N8O4.C11H14N6O2.C10H12N6O2.C8H9N5O2.C5H5N5.CH4.Na.H2O/c1-40(2)24-37-32-29-20-39-42(33(29)36-23-35-32)21-30(43)41(22-31(44)45)19-18-38-34(25-10-6-4-7-11-25,26-12-8-5-9-13-26)27-14-16-28(46-3)17-15-27;1-16(2)7-14-10-8-4-15-17(5-9(18)19-3)11(8)13-6-12-10;1-15(2)6-13-9-7-3-14-16(4-8(17)18)10(7)12-5-11-9;1-15-6(14)3-13-8-5(2-12-13)7(9)10-4-11-8;6-4-3-1-9-10-5(3)8-2-7-4;;;/h4-17,20,23-24,38H,18-19,21-22H2,1-3H3,(H,44,45);4,6-7H,5H2,1-3H3;3,5-6H,4H2,1-2H3,(H,17,18);2,4H,3H2,1H3,(H2,9,10,11);1-2H,(H3,6,7,8,9,10);1H4;;1H2/q;;;;;;+1;/p-1.

What are the key properties of Sodium;2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;2-[[2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl]amino]acetic acid;methane;methyl 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)acetate;methyl 2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;hydroxide?

Sodium;2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;2-[[2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl]amino]acetic acid;methane;methyl 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)acetate;methyl 2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;hydroxide has a molecular weight of 1529.60 g/mol, XLogP of 0.88, 24 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for Sodium;2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;2-[[2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl]amino]acetic acid;methane;methyl 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)acetate;methyl 2-[4-(dimethylaminomethylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;hydroxide is sourced from PubChem (CID 158520310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158520310 — identifiers, structure, computed properties (public domain)

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