[1,1-dicyclopropyl-3-[[1-[(6-cyclopropyl-3-methoxypyridazin-4-yl)methyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]peroxy-propan-2-ylazanide;tungsten

C24H33N6O4W- — CID 168935944

About [1,1-dicyclopropyl-3-[[1-[(6-cyclopropyl-3-methoxypyridazin-4-yl)methyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]peroxy-propan-2-ylazanide;tungsten

[1,1-dicyclopropyl-3-[[1-[(6-cyclopropyl-3-methoxypyridazin-4-yl)methyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]peroxy-propan-2-ylazanide;tungsten (PubChem CID 168935944) has the molecular formula C24H33N6O4W- and a molecular weight of 653.41 g/mol. Its IUPAC name is [1,1-dicyclopropyl-3-[[1-[(6-cyclopropyl-3-methoxypyridazin-4-yl)methyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]peroxy-propan-2-ylazanide;tungsten.

Molecular Properties

• Compound Name: [1,1-dicyclopropyl-3-[[1-[(6-cyclopropyl-3-methoxypyridazin-4-yl)methyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]peroxy-propan-2-ylazanide;tungsten
• PubChem CID: 168935944
• Molecular Formula: C24H33N6O4W-
• Molecular Weight: 653.41 g/mol
• Exact Mass: 653.21
• IUPAC Name: [1,1-dicyclopropyl-3-[[1-[(6-cyclopropyl-3-methoxypyridazin-4-yl)methyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]peroxy-propan-2-ylazanide;tungsten
• SMILES: COc1nnc(C2CC2)cc1Cn1cc(NC(=O)C(OO[N-]C(C)C)C(C2CC2)C2CC2)cn1.[W]
• InChI: InChI=1S/C24H33N6O4.W/c1-14(2)29-34-33-22(21(16-6-7-16)17-8-9-17)23(31)26-19-11-25-30(13-19)12-18-10-20(15-4-5-15)27-28-24(18)32-3;/h10-11,13-17,21-22H,4-9,12H2,1-3H3,(H,26,31);/q-1
• InChIKey: AOTJNEKNCPXVGB-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 114.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	653.41
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1,1-dicyclopropyl-3-[[1-[(6-cyclopropyl-3-methoxypyridazin-4-yl)methyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]peroxy-propan-2-ylazanide;tungsten?

The IUPAC name of [1,1-dicyclopropyl-3-[[1-[(6-cyclopropyl-3-methoxypyridazin-4-yl)methyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]peroxy-propan-2-ylazanide;tungsten (CID 168935944) is [1,1-dicyclopropyl-3-[[1-[(6-cyclopropyl-3-methoxypyridazin-4-yl)methyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]peroxy-propan-2-ylazanide;tungsten.

What is the SMILES notation for [1,1-dicyclopropyl-3-[[1-[(6-cyclopropyl-3-methoxypyridazin-4-yl)methyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]peroxy-propan-2-ylazanide;tungsten?

The canonical SMILES for [1,1-dicyclopropyl-3-[[1-[(6-cyclopropyl-3-methoxypyridazin-4-yl)methyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]peroxy-propan-2-ylazanide;tungsten is COc1nnc(C2CC2)cc1Cn1cc(NC(=O)C(OO[N-]C(C)C)C(C2CC2)C2CC2)cn1.[W].

What is the InChIKey of [1,1-dicyclopropyl-3-[[1-[(6-cyclopropyl-3-methoxypyridazin-4-yl)methyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]peroxy-propan-2-ylazanide;tungsten?

The InChIKey is AOTJNEKNCPXVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N6O4.W/c1-14(2)29-34-33-22(21(16-6-7-16)17-8-9-17)23(31)26-19-11-25-30(13-19)12-18-10-20(15-4-5-15)27-28-24(18)32-3;/h10-11,13-17,21-22H,4-9,12H2,1-3H3,(H,26,31);/q-1;.

What are the key properties of [1,1-dicyclopropyl-3-[[1-[(6-cyclopropyl-3-methoxypyridazin-4-yl)methyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]peroxy-propan-2-ylazanide;tungsten?

[1,1-dicyclopropyl-3-[[1-[(6-cyclopropyl-3-methoxypyridazin-4-yl)methyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]peroxy-propan-2-ylazanide;tungsten has a molecular weight of 653.41 g/mol, XLogP of 3.99, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1,1-dicyclopropyl-3-[[1-[(6-cyclopropyl-3-methoxypyridazin-4-yl)methyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]peroxy-propan-2-ylazanide;tungsten is sourced from PubChem (CID 168935944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).