disodium;methane;2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;5-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3-[2-(methylamino)ethyl]-4-oxopentanoic acid;4-methoxy-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide;methyl 2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate;methyl 2-[[2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-(methylamino)ethyl]amino]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;dihydroxide

C92H99N33Na2O22 — CID 157237526

About disodium;methane;2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;5-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3-[2-(methylamino)ethyl]-4-oxopentanoic acid;4-methoxy-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide;methyl 2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate;methyl 2-[[2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-(methylamino)ethyl]amino]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;dihydroxide

disodium;methane;2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;5-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3-[2-(methylamino)ethyl]-4-oxopentanoic acid;4-methoxy-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide;methyl 2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate;methyl 2-[[2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-(methylamino)ethyl]amino]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;dihydroxide (PubChem CID 157237526) has the molecular formula C92H99N33Na2O22 and a molecular weight of 2064.99 g/mol. Its IUPAC name is disodium;methane;2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;5-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3-[2-(methylamino)ethyl]-4-oxopentanoic acid;4-methoxy-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide;methyl 2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate;methyl 2-[[2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-(methylamino)ethyl]amino]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;dihydroxide.

Molecular Properties

• Compound Name: disodium;methane;2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;5-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3-[2-(methylamino)ethyl]-4-oxopentanoic acid;4-methoxy-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide;methyl 2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate;methyl 2-[[2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-(methylamino)ethyl]amino]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;dihydroxide
• PubChem CID: 157237526
• Molecular Formula: C92H99N33Na2O22
• Molecular Weight: 2064.99 g/mol
• Exact Mass: 2063.74
• IUPAC Name: disodium;methane;2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;5-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3-[2-(methylamino)ethyl]-4-oxopentanoic acid;4-methoxy-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide;methyl 2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate;methyl 2-[[2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-(methylamino)ethyl]amino]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;dihydroxide
• SMILES: C.CNCCC(CC(=O)O)C(=O)Cn1ncc2c(NC(=O)c3ccc(OC)cc3)ncnc21.CNCCN(CC(=O)OC)C(=O)Cn1ncc2c(NC(=O)c3ccc(OC)cc3)ncnc21.COC(=O)Cn1ncc2c(NC(=O)c3ccc(OC)cc3)ncnc21.COc1ccc(C(=O)Nc2ncnc3[nH]ncc23)cc1.COc1ccc(C(=O)Nc2ncnc3c2cnn3CC(=O)O)cc1.Nc1ncnc2[nH]ncc12.[Na+].[Na+].[OH-].[OH-]
• InChI: InChI=1S/C21H25N7O5.C21H24N6O5.C16H15N5O4.C15H13N5O4.C13H11N5O2.C5H5N5.CH4.2Na.2H2O/c1-22-8-9-27(12-18(30)33-3)17(29)11-28-20-16(10-25-28)19(23-13-24-20)26-21(31)14-4-6-15(32-2)7-5-14;1-22-8-7-14(9-18(29)30)17(28)11-27-20-16(10-25-27)19(23-12-24-20)26-21(31)13-3-5-15(32-2)6-4-13;1-24-11-5-3-10(4-6-11)16(23)20-14-12-7-19-21(8-13(22)25-2)15(12)18-9-17-14;1-24-10-4-2-9(3-5-10)15(23)19-13-11-6-18-20(7-12(21)22)14(11)17-8-16-13;1-20-9-4-2-8(3-5-9)13(19)17-11-10-6-16-18-12(10)15-7-14-11;6-4-3-1-9-10-5(3)8-2-7-4;;;;;/h4-7,10,13,22H,8-9,11-12H2,1-3H3,(H,23,24,26,31);3-6,10,12,14,22H,7-9,11H2,1-2H3,(H,29,30)(H,23,24,26,31);3-7,9H,8H2,1-2H3,(H,17,18,20,23);2-6,8H,7H2,1H3,(H,21,22)(H,16,17,19,23);2-7H,1H3,(H2,14,15,16,17,18,19);1-2H,(H3,6,7,8,9,10);1H4;;;2*1H2/q;;;;;;;2*+1;;/p-2
• InChIKey: AUUVMIUCWQAXRJ-UHFFFAOYSA-L
• XLogP: -0.06
• TPSA: 749.63 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 45
• Rotatable Bonds: 34
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2064.99
LogP ≤ 5	-0.06
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of disodium;methane;2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;5-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3-[2-(methylamino)ethyl]-4-oxopentanoic acid;4-methoxy-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide;methyl 2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate;methyl 2-[[2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-(methylamino)ethyl]amino]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;dihydroxide?

The IUPAC name of disodium;methane;2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;5-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3-[2-(methylamino)ethyl]-4-oxopentanoic acid;4-methoxy-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide;methyl 2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate;methyl 2-[[2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-(methylamino)ethyl]amino]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;dihydroxide (CID 157237526) is disodium;methane;2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;5-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3-[2-(methylamino)ethyl]-4-oxopentanoic acid;4-methoxy-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide;methyl 2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate;methyl 2-[[2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-(methylamino)ethyl]amino]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;dihydroxide.

What is the SMILES notation for disodium;methane;2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;5-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3-[2-(methylamino)ethyl]-4-oxopentanoic acid;4-methoxy-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide;methyl 2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate;methyl 2-[[2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-(methylamino)ethyl]amino]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;dihydroxide?

The canonical SMILES for disodium;methane;2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;5-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3-[2-(methylamino)ethyl]-4-oxopentanoic acid;4-methoxy-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide;methyl 2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate;methyl 2-[[2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-(methylamino)ethyl]amino]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;dihydroxide is C.CNCCC(CC(=O)O)C(=O)Cn1ncc2c(NC(=O)c3ccc(OC)cc3)ncnc21.CNCCN(CC(=O)OC)C(=O)Cn1ncc2c(NC(=O)c3ccc(OC)cc3)ncnc21.COC(=O)Cn1ncc2c(NC(=O)c3ccc(OC)cc3)ncnc21.COc1ccc(C(=O)Nc2ncnc3[nH]ncc23)cc1.COc1ccc(C(=O)Nc2ncnc3c2cnn3CC(=O)O)cc1.Nc1ncnc2[nH]ncc12.[Na+].[Na+].[OH-].[OH-].

What is the InChIKey of disodium;methane;2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;5-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3-[2-(methylamino)ethyl]-4-oxopentanoic acid;4-methoxy-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide;methyl 2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate;methyl 2-[[2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-(methylamino)ethyl]amino]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;dihydroxide?

The InChIKey is AUUVMIUCWQAXRJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H25N7O5.C21H24N6O5.C16H15N5O4.C15H13N5O4.C13H11N5O2.C5H5N5.CH4.2Na.2H2O/c1-22-8-9-27(12-18(30)33-3)17(29)11-28-20-16(10-25-28)19(23-13-24-20)26-21(31)14-4-6-15(32-2)7-5-14;1-22-8-7-14(9-18(29)30)17(28)11-27-20-16(10-25-27)19(23-12-24-20)26-21(31)13-3-5-15(32-2)6-4-13;1-24-11-5-3-10(4-6-11)16(23)20-14-12-7-19-21(8-13(22)25-2)15(12)18-9-17-14;1-24-10-4-2-9(3-5-10)15(23)19-13-11-6-18-20(7-12(21)22)14(11)17-8-16-13;1-20-9-4-2-8(3-5-9)13(19)17-11-10-6-16-18-12(10)15-7-14-11;6-4-3-1-9-10-5(3)8-2-7-4;;;;;/h4-7,10,13,22H,8-9,11-12H2,1-3H3,(H,23,24,26,31);3-6,10,12,14,22H,7-9,11H2,1-2H3,(H,29,30)(H,23,24,26,31);3-7,9H,8H2,1-2H3,(H,17,18,20,23);2-6,8H,7H2,1H3,(H,21,22)(H,16,17,19,23);2-7H,1H3,(H2,14,15,16,17,18,19);1-2H,(H3,6,7,8,9,10);1H4;;;2*1H2/q;;;;;;;2*+1;;/p-2.

What are the key properties of disodium;methane;2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;5-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3-[2-(methylamino)ethyl]-4-oxopentanoic acid;4-methoxy-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide;methyl 2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate;methyl 2-[[2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-(methylamino)ethyl]amino]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;dihydroxide?

disodium;methane;2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;5-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3-[2-(methylamino)ethyl]-4-oxopentanoic acid;4-methoxy-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide;methyl 2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate;methyl 2-[[2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-(methylamino)ethyl]amino]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;dihydroxide has a molecular weight of 2064.99 g/mol, XLogP of -0.06, 34 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;methane;2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid;5-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3-[2-(methylamino)ethyl]-4-oxopentanoic acid;4-methoxy-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide;methyl 2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate;methyl 2-[[2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetyl]-[2-(methylamino)ethyl]amino]acetate;1H-pyrazolo[3,4-d]pyrimidin-4-amine;dihydroxide is sourced from PubChem (CID 157237526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).