1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carbaldehyde;[1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol;dioxomanganese

C32H30MnN16O4 — CID 160949072

About 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carbaldehyde;[1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol;dioxomanganese

1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carbaldehyde;[1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol;dioxomanganese (PubChem CID 160949072) has the molecular formula C32H30MnN16O4 and a molecular weight of 757.64 g/mol. Its IUPAC name is 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carbaldehyde;[1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol;dioxomanganese.

Molecular Properties

• Compound Name: 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carbaldehyde;[1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol;dioxomanganese
• PubChem CID: 160949072
• Molecular Formula: C32H30MnN16O4
• Molecular Weight: 757.64 g/mol
• Exact Mass: 757.20
• IUPAC Name: 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carbaldehyde;[1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol;dioxomanganese
• SMILES: O=Cc1cn(Cc2cn3cc(C4CC4)cc(-n4cnnc4)c3n2)nn1.O=[Mn]=O.OCc1cn(Cc2cn3cc(C4CC4)cc(-n4cnnc4)c3n2)nn1
• InChI: InChI=1S/C16H16N8O.C16H14N8O.Mn.2O/c2*25-8-14-7-24(21-20-14)6-13-5-22-4-12(11-1-2-11)3-15(16(22)19-13)23-9-17-18-10-23;;;/h3-5,7,9-11,25H,1-2,6,8H2;3-5,7-11H,1-2,6H2
• InChIKey: JSCYYDGMPAYRFC-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 228.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.64
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carbaldehyde;[1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol;dioxomanganese?

The IUPAC name of 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carbaldehyde;[1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol;dioxomanganese (CID 160949072) is 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carbaldehyde;[1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol;dioxomanganese.

What is the SMILES notation for 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carbaldehyde;[1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol;dioxomanganese?

The canonical SMILES for 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carbaldehyde;[1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol;dioxomanganese is O=Cc1cn(Cc2cn3cc(C4CC4)cc(-n4cnnc4)c3n2)nn1.O=[Mn]=O.OCc1cn(Cc2cn3cc(C4CC4)cc(-n4cnnc4)c3n2)nn1.

What is the InChIKey of 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carbaldehyde;[1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol;dioxomanganese?

The InChIKey is JSCYYDGMPAYRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O.C16H14N8O.Mn.2O/c2*25-8-14-7-24(21-20-14)6-13-5-22-4-12(11-1-2-11)3-15(16(22)19-13)23-9-17-18-10-23;;;/h3-5,7,9-11,25H,1-2,6,8H2;3-5,7-11H,1-2,6H2;;;.

What are the key properties of 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carbaldehyde;[1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol;dioxomanganese?

1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carbaldehyde;[1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol;dioxomanganese has a molecular weight of 757.64 g/mol, XLogP of 1.93, 10 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carbaldehyde;[1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]methanol;dioxomanganese is sourced from PubChem (CID 160949072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).