2-aminoacetaldehyde;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;N-[2-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-2-oxoethyl]formamide;7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine

C59H56N22O6 — CID 160858815

About 2-aminoacetaldehyde;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;N-[2-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-2-oxoethyl]formamide;7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine

2-aminoacetaldehyde;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;N-[2-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-2-oxoethyl]formamide;7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine (PubChem CID 160858815) has the molecular formula C59H56N22O6 and a molecular weight of 1169.24 g/mol. Its IUPAC name is 2-aminoacetaldehyde;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;N-[2-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-2-oxoethyl]formamide;7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine.

Molecular Properties

• Compound Name: 2-aminoacetaldehyde;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;N-[2-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-2-oxoethyl]formamide;7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine
• PubChem CID: 160858815
• Molecular Formula: C59H56N22O6
• Molecular Weight: 1169.24 g/mol
• Exact Mass: 1168.48
• IUPAC Name: 2-aminoacetaldehyde;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;N-[2-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-2-oxoethyl]formamide;7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine
• SMILES: Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(-c3nnco3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)CNC=O)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)O)[nH]c12.NCC=O
• InChI: InChI=1S/C20H19N7O2.C19H16N8O.C18H16N6O2.C2H5NO/c1-12-5-14(6-13-7-16(25-19(12)13)18(29)8-21-11-28)24-20-22-4-3-15(26-20)17-9-27(2)10-23-17;1-11-5-13(6-12-7-15(24-17(11)12)18-26-22-10-28-18)23-19-20-4-3-14(25-19)16-8-27(2)9-21-16;1-10-5-12(6-11-7-14(17(25)26)22-16(10)11)21-18-19-4-3-13(23-18)15-8-24(2)9-20-15;3-1-2-4/h3-7,9-11,25H,8H2,1-2H3,(H,21,28)(H,22,24,26);3-10,24H,1-2H3,(H,20,23,25);3-9,22H,1-2H3,(H,25,26)(H,19,21,23);2H,1,3H2
• InChIKey: SKFGPUBOXUYWCS-UHFFFAOYSA-N
• XLogP: 8.05
• TPSA: 379.74 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1169.24
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetaldehyde;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;N-[2-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-2-oxoethyl]formamide;7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine?

The IUPAC name of 2-aminoacetaldehyde;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;N-[2-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-2-oxoethyl]formamide;7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine (CID 160858815) is 2-aminoacetaldehyde;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;N-[2-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-2-oxoethyl]formamide;7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine.

What is the SMILES notation for 2-aminoacetaldehyde;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;N-[2-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-2-oxoethyl]formamide;7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine?

The canonical SMILES for 2-aminoacetaldehyde;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;N-[2-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-2-oxoethyl]formamide;7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine is Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(-c3nnco3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)CNC=O)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)O)[nH]c12.NCC=O.

What is the InChIKey of 2-aminoacetaldehyde;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;N-[2-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-2-oxoethyl]formamide;7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine?

The InChIKey is SKFGPUBOXUYWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2.C19H16N8O.C18H16N6O2.C2H5NO/c1-12-5-14(6-13-7-16(25-19(12)13)18(29)8-21-11-28)24-20-22-4-3-15(26-20)17-9-27(2)10-23-17;1-11-5-13(6-12-7-15(24-17(11)12)18-26-22-10-28-18)23-19-20-4-3-14(25-19)16-8-27(2)9-21-16;1-10-5-12(6-11-7-14(17(25)26)22-16(10)11)21-18-19-4-3-13(23-18)15-8-24(2)9-20-15;3-1-2-4/h3-7,9-11,25H,8H2,1-2H3,(H,21,28)(H,22,24,26);3-10,24H,1-2H3,(H,20,23,25);3-9,22H,1-2H3,(H,25,26)(H,19,21,23);2H,1,3H2.

What are the key properties of 2-aminoacetaldehyde;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;N-[2-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-2-oxoethyl]formamide;7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine?

2-aminoacetaldehyde;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;N-[2-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-2-oxoethyl]formamide;7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine has a molecular weight of 1169.24 g/mol, XLogP of 8.05, 16 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoacetaldehyde;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;N-[2-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-2-oxoethyl]formamide;7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine is sourced from PubChem (CID 160858815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).