3-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-amino-6H-imidazo[4,5-b]pyridin-7-one;4-[5-(4-acetylphenyl)-6-(4-amino-2-oxopyrimidin-1-yl)-3-(4-aminophenyl)pyrazin-2-yl]benzoic acid;6-amino-5-(4-carboxyphenyl)-3-[(6-methylidene-1,7-dihydropurin-2-yl)amino]pyrazine-2-carboxylic acid;6-amino-5-(4-carboxyphenyl)-3-(7H-pyrrolo[3,2-d]pyrimidin-4-ylamino)pyrazine-2-carboxylic acid;1-[3,6-diamino-5-(6-aminopurin-9-yl)pyrazin-2-yl]ethanone

C88H72N38O15 — CID 158378167

About 3-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-amino-6H-imidazo[4,5-b]pyridin-7-one;4-[5-(4-acetylphenyl)-6-(4-amino-2-oxopyrimidin-1-yl)-3-(4-aminophenyl)pyrazin-2-yl]benzoic acid;6-amino-5-(4-carboxyphenyl)-3-[(6-methylidene-1,7-dihydropurin-2-yl)amino]pyrazine-2-carboxylic acid;6-amino-5-(4-carboxyphenyl)-3-(7H-pyrrolo[3,2-d]pyrimidin-4-ylamino)pyrazine-2-carboxylic acid;1-[3,6-diamino-5-(6-aminopurin-9-yl)pyrazin-2-yl]ethanone

3-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-amino-6H-imidazo[4,5-b]pyridin-7-one;4-[5-(4-acetylphenyl)-6-(4-amino-2-oxopyrimidin-1-yl)-3-(4-aminophenyl)pyrazin-2-yl]benzoic acid;6-amino-5-(4-carboxyphenyl)-3-[(6-methylidene-1,7-dihydropurin-2-yl)amino]pyrazine-2-carboxylic acid;6-amino-5-(4-carboxyphenyl)-3-(7H-pyrrolo[3,2-d]pyrimidin-4-ylamino)pyrazine-2-carboxylic acid;1-[3,6-diamino-5-(6-aminopurin-9-yl)pyrazin-2-yl]ethanone (PubChem CID 158378167) has the molecular formula C88H72N38O15 and a molecular weight of 1901.79 g/mol. Its IUPAC name is 3-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-amino-6H-imidazo[4,5-b]pyridin-7-one;4-[5-(4-acetylphenyl)-6-(4-amino-2-oxopyrimidin-1-yl)-3-(4-aminophenyl)pyrazin-2-yl]benzoic acid;6-amino-5-(4-carboxyphenyl)-3-[(6-methylidene-1,7-dihydropurin-2-yl)amino]pyrazine-2-carboxylic acid;6-amino-5-(4-carboxyphenyl)-3-(7H-pyrrolo[3,2-d]pyrimidin-4-ylamino)pyrazine-2-carboxylic acid;1-[3,6-diamino-5-(6-aminopurin-9-yl)pyrazin-2-yl]ethanone.

Molecular Properties

• Compound Name: 3-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-amino-6H-imidazo[4,5-b]pyridin-7-one;4-[5-(4-acetylphenyl)-6-(4-amino-2-oxopyrimidin-1-yl)-3-(4-aminophenyl)pyrazin-2-yl]benzoic acid;6-amino-5-(4-carboxyphenyl)-3-[(6-methylidene-1,7-dihydropurin-2-yl)amino]pyrazine-2-carboxylic acid;6-amino-5-(4-carboxyphenyl)-3-(7H-pyrrolo[3,2-d]pyrimidin-4-ylamino)pyrazine-2-carboxylic acid;1-[3,6-diamino-5-(6-aminopurin-9-yl)pyrazin-2-yl]ethanone
• PubChem CID: 158378167
• Molecular Formula: C88H72N38O15
• Molecular Weight: 1901.79 g/mol
• Exact Mass: 1900.60
• IUPAC Name: 3-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-amino-6H-imidazo[4,5-b]pyridin-7-one;4-[5-(4-acetylphenyl)-6-(4-amino-2-oxopyrimidin-1-yl)-3-(4-aminophenyl)pyrazin-2-yl]benzoic acid;6-amino-5-(4-carboxyphenyl)-3-[(6-methylidene-1,7-dihydropurin-2-yl)amino]pyrazine-2-carboxylic acid;6-amino-5-(4-carboxyphenyl)-3-(7H-pyrrolo[3,2-d]pyrimidin-4-ylamino)pyrazine-2-carboxylic acid;1-[3,6-diamino-5-(6-aminopurin-9-yl)pyrazin-2-yl]ethanone
• SMILES: C=C1NC(Nc2nc(-c3ccc(C(=O)O)cc3)c(N)nc2C(=O)O)=Nc2nc[nH]c21.CC(=O)c1ccc(-c2nc(-c3ccc(N)cc3)c(-c3ccc(C(=O)O)cc3)nc2-n2ccc(N)nc2=O)cc1.CC(=O)c1nc(N)c(-n2cnc3c(N)ncnc32)nc1N.CC(=O)c1nc(N)c(-n2cnc3c2N=C(N)CC3=O)nc1N.Nc1nc(C(=O)O)c(Nc2ncnc3c2N=CC3)nc1-c1ccc(C(=O)O)cc1
• InChI: InChI=1S/C29H22N6O4.C18H14N8O4.C18H13N7O4.C12H12N8O2.C11H11N9O/c1-16(36)17-2-4-20(5-3-17)26-27(35-15-14-23(31)32-29(35)39)34-25(18-6-8-21(9-7-18)28(37)38)24(33-26)19-10-12-22(30)13-11-19;1-7-10-14(21-6-20-10)25-18(22-7)26-15-12(17(29)30)23-13(19)11(24-15)8-2-4-9(5-3-8)16(27)28;19-14-11(8-1-3-9(4-2-8)17(26)27)24-16(13(23-14)18(28)29)25-15-12-10(5-6-20-12)21-7-22-15;1-4(21)7-9(14)19-12(10(15)18-7)20-3-16-8-5(22)2-6(13)17-11(8)20;1-4(21)5-8(13)19-11(9(14)18-5)20-3-17-6-7(12)15-2-16-10(6)20/h2-15H,30H2,1H3,(H,37,38)(H2,31,32,39);2-6H,1H2,(H2,19,23)(H,20,21)(H,27,28)(H,29,30)(H2,22,24,25,26);1-4,6-7H,5H2,(H2,19,23)(H,26,27)(H,28,29)(H,21,22,24,25);3H,2H2,1H3,(H2,13,17)(H2,14,19)(H2,15,18);2-3H,1H3,(H2,13,19)(H2,14,18)(H2,12,15,16)
• InChIKey: GVLOUGMNJWRURI-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 867.82 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 47
• Rotatable Bonds: 19
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1901.79
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-amino-6H-imidazo[4,5-b]pyridin-7-one;4-[5-(4-acetylphenyl)-6-(4-amino-2-oxopyrimidin-1-yl)-3-(4-aminophenyl)pyrazin-2-yl]benzoic acid;6-amino-5-(4-carboxyphenyl)-3-[(6-methylidene-1,7-dihydropurin-2-yl)amino]pyrazine-2-carboxylic acid;6-amino-5-(4-carboxyphenyl)-3-(7H-pyrrolo[3,2-d]pyrimidin-4-ylamino)pyrazine-2-carboxylic acid;1-[3,6-diamino-5-(6-aminopurin-9-yl)pyrazin-2-yl]ethanone?

The IUPAC name of 3-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-amino-6H-imidazo[4,5-b]pyridin-7-one;4-[5-(4-acetylphenyl)-6-(4-amino-2-oxopyrimidin-1-yl)-3-(4-aminophenyl)pyrazin-2-yl]benzoic acid;6-amino-5-(4-carboxyphenyl)-3-[(6-methylidene-1,7-dihydropurin-2-yl)amino]pyrazine-2-carboxylic acid;6-amino-5-(4-carboxyphenyl)-3-(7H-pyrrolo[3,2-d]pyrimidin-4-ylamino)pyrazine-2-carboxylic acid;1-[3,6-diamino-5-(6-aminopurin-9-yl)pyrazin-2-yl]ethanone (CID 158378167) is 3-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-amino-6H-imidazo[4,5-b]pyridin-7-one;4-[5-(4-acetylphenyl)-6-(4-amino-2-oxopyrimidin-1-yl)-3-(4-aminophenyl)pyrazin-2-yl]benzoic acid;6-amino-5-(4-carboxyphenyl)-3-[(6-methylidene-1,7-dihydropurin-2-yl)amino]pyrazine-2-carboxylic acid;6-amino-5-(4-carboxyphenyl)-3-(7H-pyrrolo[3,2-d]pyrimidin-4-ylamino)pyrazine-2-carboxylic acid;1-[3,6-diamino-5-(6-aminopurin-9-yl)pyrazin-2-yl]ethanone.

What is the SMILES notation for 3-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-amino-6H-imidazo[4,5-b]pyridin-7-one;4-[5-(4-acetylphenyl)-6-(4-amino-2-oxopyrimidin-1-yl)-3-(4-aminophenyl)pyrazin-2-yl]benzoic acid;6-amino-5-(4-carboxyphenyl)-3-[(6-methylidene-1,7-dihydropurin-2-yl)amino]pyrazine-2-carboxylic acid;6-amino-5-(4-carboxyphenyl)-3-(7H-pyrrolo[3,2-d]pyrimidin-4-ylamino)pyrazine-2-carboxylic acid;1-[3,6-diamino-5-(6-aminopurin-9-yl)pyrazin-2-yl]ethanone?

The canonical SMILES for 3-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-amino-6H-imidazo[4,5-b]pyridin-7-one;4-[5-(4-acetylphenyl)-6-(4-amino-2-oxopyrimidin-1-yl)-3-(4-aminophenyl)pyrazin-2-yl]benzoic acid;6-amino-5-(4-carboxyphenyl)-3-[(6-methylidene-1,7-dihydropurin-2-yl)amino]pyrazine-2-carboxylic acid;6-amino-5-(4-carboxyphenyl)-3-(7H-pyrrolo[3,2-d]pyrimidin-4-ylamino)pyrazine-2-carboxylic acid;1-[3,6-diamino-5-(6-aminopurin-9-yl)pyrazin-2-yl]ethanone is C=C1NC(Nc2nc(-c3ccc(C(=O)O)cc3)c(N)nc2C(=O)O)=Nc2nc[nH]c21.CC(=O)c1ccc(-c2nc(-c3ccc(N)cc3)c(-c3ccc(C(=O)O)cc3)nc2-n2ccc(N)nc2=O)cc1.CC(=O)c1nc(N)c(-n2cnc3c(N)ncnc32)nc1N.CC(=O)c1nc(N)c(-n2cnc3c2N=C(N)CC3=O)nc1N.Nc1nc(C(=O)O)c(Nc2ncnc3c2N=CC3)nc1-c1ccc(C(=O)O)cc1.

What is the InChIKey of 3-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-amino-6H-imidazo[4,5-b]pyridin-7-one;4-[5-(4-acetylphenyl)-6-(4-amino-2-oxopyrimidin-1-yl)-3-(4-aminophenyl)pyrazin-2-yl]benzoic acid;6-amino-5-(4-carboxyphenyl)-3-[(6-methylidene-1,7-dihydropurin-2-yl)amino]pyrazine-2-carboxylic acid;6-amino-5-(4-carboxyphenyl)-3-(7H-pyrrolo[3,2-d]pyrimidin-4-ylamino)pyrazine-2-carboxylic acid;1-[3,6-diamino-5-(6-aminopurin-9-yl)pyrazin-2-yl]ethanone?

The InChIKey is GVLOUGMNJWRURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N6O4.C18H14N8O4.C18H13N7O4.C12H12N8O2.C11H11N9O/c1-16(36)17-2-4-20(5-3-17)26-27(35-15-14-23(31)32-29(35)39)34-25(18-6-8-21(9-7-18)28(37)38)24(33-26)19-10-12-22(30)13-11-19;1-7-10-14(21-6-20-10)25-18(22-7)26-15-12(17(29)30)23-13(19)11(24-15)8-2-4-9(5-3-8)16(27)28;19-14-11(8-1-3-9(4-2-8)17(26)27)24-16(13(23-14)18(28)29)25-15-12-10(5-6-20-12)21-7-22-15;1-4(21)7-9(14)19-12(10(15)18-7)20-3-16-8-5(22)2-6(13)17-11(8)20;1-4(21)5-8(13)19-11(9(14)18-5)20-3-17-6-7(12)15-2-16-10(6)20/h2-15H,30H2,1H3,(H,37,38)(H2,31,32,39);2-6H,1H2,(H2,19,23)(H,20,21)(H,27,28)(H,29,30)(H2,22,24,25,26);1-4,6-7H,5H2,(H2,19,23)(H,26,27)(H,28,29)(H,21,22,24,25);3H,2H2,1H3,(H2,13,17)(H2,14,19)(H2,15,18);2-3H,1H3,(H2,13,19)(H2,14,18)(H2,12,15,16).

What are the key properties of 3-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-amino-6H-imidazo[4,5-b]pyridin-7-one;4-[5-(4-acetylphenyl)-6-(4-amino-2-oxopyrimidin-1-yl)-3-(4-aminophenyl)pyrazin-2-yl]benzoic acid;6-amino-5-(4-carboxyphenyl)-3-[(6-methylidene-1,7-dihydropurin-2-yl)amino]pyrazine-2-carboxylic acid;6-amino-5-(4-carboxyphenyl)-3-(7H-pyrrolo[3,2-d]pyrimidin-4-ylamino)pyrazine-2-carboxylic acid;1-[3,6-diamino-5-(6-aminopurin-9-yl)pyrazin-2-yl]ethanone?

3-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-amino-6H-imidazo[4,5-b]pyridin-7-one;4-[5-(4-acetylphenyl)-6-(4-amino-2-oxopyrimidin-1-yl)-3-(4-aminophenyl)pyrazin-2-yl]benzoic acid;6-amino-5-(4-carboxyphenyl)-3-[(6-methylidene-1,7-dihydropurin-2-yl)amino]pyrazine-2-carboxylic acid;6-amino-5-(4-carboxyphenyl)-3-(7H-pyrrolo[3,2-d]pyrimidin-4-ylamino)pyrazine-2-carboxylic acid;1-[3,6-diamino-5-(6-aminopurin-9-yl)pyrazin-2-yl]ethanone has a molecular weight of 1901.79 g/mol, XLogP of 6.68, 19 rotatable bonds, 19 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-amino-6H-imidazo[4,5-b]pyridin-7-one;4-[5-(4-acetylphenyl)-6-(4-amino-2-oxopyrimidin-1-yl)-3-(4-aminophenyl)pyrazin-2-yl]benzoic acid;6-amino-5-(4-carboxyphenyl)-3-[(6-methylidene-1,7-dihydropurin-2-yl)amino]pyrazine-2-carboxylic acid;6-amino-5-(4-carboxyphenyl)-3-(7H-pyrrolo[3,2-d]pyrimidin-4-ylamino)pyrazine-2-carboxylic acid;1-[3,6-diamino-5-(6-aminopurin-9-yl)pyrazin-2-yl]ethanone is sourced from PubChem (CID 158378167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).