tripotassium;7-(1,3-dioxoisoindol-2-yl)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;methyl 2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;7-[[2-[3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanoyl]benzoyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;dihydroxide

C91H66K3N19O22-2 — CID 157473523

About tripotassium;7-(1,3-dioxoisoindol-2-yl)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;methyl 2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;7-[[2-[3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanoyl]benzoyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;dihydroxide

tripotassium;7-(1,3-dioxoisoindol-2-yl)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;methyl 2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;7-[[2-[3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanoyl]benzoyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;dihydroxide (PubChem CID 157473523) has the molecular formula C91H66K3N19O22-2 and a molecular weight of 1894.93 g/mol. Its IUPAC name is tripotassium;7-(1,3-dioxoisoindol-2-yl)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;methyl 2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;7-[[2-[3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanoyl]benzoyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;dihydroxide.

Molecular Properties

• Compound Name: tripotassium;7-(1,3-dioxoisoindol-2-yl)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;methyl 2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;7-[[2-[3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanoyl]benzoyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;dihydroxide
• PubChem CID: 157473523
• Molecular Formula: C91H66K3N19O22-2
• Molecular Weight: 1894.93 g/mol
• Exact Mass: 1893.36
• IUPAC Name: tripotassium;7-(1,3-dioxoisoindol-2-yl)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;methyl 2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;7-[[2-[3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanoyl]benzoyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;dihydroxide
• SMILES: COC(=O)c1ccccc1C(=O)Nc1c[nH]c2c([C-]=O)ncnc12.O=C1COc2ccc(CNC(=O)c3ncnc4c(N5C(=O)c6ccccc6C5=O)c[nH]c34)cc2C1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)c5ccccc5C(=O)CCc5ccc6c(c5)NC(=O)CO6)c[nH]c34)cc2C1.O=[C-]c1ncnc2c(NC(=O)c3ccccc3C(=O)[O-])c[nH]c12.[K+].[K+].[K+].[OH-].[OH-]
• InChI: InChI=1S/C35H28N6O7.C25H17N5O5.C16H11N4O4.C15H9N4O4.3K.2H2O/c42-22-13-21-11-20(7-9-28(21)47-16-22)14-37-35(46)33-32-31(38-18-39-33)26(15-36-32)41-34(45)24-4-2-1-3-23(24)27(43)8-5-19-6-10-29-25(12-19)40-30(44)17-48-29;31-15-8-14-7-13(5-6-19(14)35-11-15)9-27-23(32)22-21-20(28-12-29-22)18(10-26-21)30-24(33)16-3-1-2-4-17(16)25(30)34;1-24-16(23)10-5-3-2-4-9(10)15(22)20-11-6-17-14-12(7-21)18-8-19-13(11)14;20-6-11-13-12(18-7-17-11)10(5-16-13)19-14(21)8-3-1-2-4-9(8)15(22)23;;;;;/h1-4,6-7,9-12,15,18,36H,5,8,13-14,16-17H2,(H,37,46)(H,40,44)(H,41,45);1-7,10,12,26H,8-9,11H2,(H,27,32);2-6,8,17H,1H3,(H,20,22);1-5,7,16H,(H,19,21)(H,22,23);;;;2*1H2/q;;2*-1;3*+1;;/p-3
• InChIKey: CGGDQIHEFLICHK-UHFFFAOYSA-K
• XLogP: -1.87
• TPSA: 617.73 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1894.93
LogP ≤ 5	-1.87
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tripotassium;7-(1,3-dioxoisoindol-2-yl)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;methyl 2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;7-[[2-[3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanoyl]benzoyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;dihydroxide?

The IUPAC name of tripotassium;7-(1,3-dioxoisoindol-2-yl)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;methyl 2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;7-[[2-[3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanoyl]benzoyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;dihydroxide (CID 157473523) is tripotassium;7-(1,3-dioxoisoindol-2-yl)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;methyl 2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;7-[[2-[3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanoyl]benzoyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;dihydroxide.

What is the SMILES notation for tripotassium;7-(1,3-dioxoisoindol-2-yl)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;methyl 2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;7-[[2-[3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanoyl]benzoyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;dihydroxide?

The canonical SMILES for tripotassium;7-(1,3-dioxoisoindol-2-yl)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;methyl 2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;7-[[2-[3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanoyl]benzoyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;dihydroxide is COC(=O)c1ccccc1C(=O)Nc1c[nH]c2c([C-]=O)ncnc12.O=C1COc2ccc(CNC(=O)c3ncnc4c(N5C(=O)c6ccccc6C5=O)c[nH]c34)cc2C1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)c5ccccc5C(=O)CCc5ccc6c(c5)NC(=O)CO6)c[nH]c34)cc2C1.O=[C-]c1ncnc2c(NC(=O)c3ccccc3C(=O)[O-])c[nH]c12.[K+].[K+].[K+].[OH-].[OH-].

What is the InChIKey of tripotassium;7-(1,3-dioxoisoindol-2-yl)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;methyl 2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;7-[[2-[3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanoyl]benzoyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;dihydroxide?

The InChIKey is CGGDQIHEFLICHK-UHFFFAOYSA-K. The full InChI is InChI=1S/C35H28N6O7.C25H17N5O5.C16H11N4O4.C15H9N4O4.3K.2H2O/c42-22-13-21-11-20(7-9-28(21)47-16-22)14-37-35(46)33-32-31(38-18-39-33)26(15-36-32)41-34(45)24-4-2-1-3-23(24)27(43)8-5-19-6-10-29-25(12-19)40-30(44)17-48-29;31-15-8-14-7-13(5-6-19(14)35-11-15)9-27-23(32)22-21-20(28-12-29-22)18(10-26-21)30-24(33)16-3-1-2-4-17(16)25(30)34;1-24-16(23)10-5-3-2-4-9(10)15(22)20-11-6-17-14-12(7-21)18-8-19-13(11)14;20-6-11-13-12(18-7-17-11)10(5-16-13)19-14(21)8-3-1-2-4-9(8)15(22)23;;;;;/h1-4,6-7,9-12,15,18,36H,5,8,13-14,16-17H2,(H,37,46)(H,40,44)(H,41,45);1-7,10,12,26H,8-9,11H2,(H,27,32);2-6,8,17H,1H3,(H,20,22);1-5,7,16H,(H,19,21)(H,22,23);;;;2*1H2/q;;2*-1;3*+1;;/p-3.

What are the key properties of tripotassium;7-(1,3-dioxoisoindol-2-yl)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;methyl 2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;7-[[2-[3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanoyl]benzoyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;dihydroxide?

tripotassium;7-(1,3-dioxoisoindol-2-yl)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;methyl 2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;7-[[2-[3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanoyl]benzoyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;dihydroxide has a molecular weight of 1894.93 g/mol, XLogP of -1.87, 21 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tripotassium;7-(1,3-dioxoisoindol-2-yl)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;methyl 2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;7-[[2-[3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanoyl]benzoyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-(oxomethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoate;dihydroxide is sourced from PubChem (CID 157473523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).