6-chloro-4-[[5-(1-hydroxy-2-methylpropan-2-yl)oxy-2-pyridinyl]amino]-2-methylpyridazin-3-one;2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanal

C28H32Cl2N8O6 — CID 161188624

About 6-chloro-4-[[5-(1-hydroxy-2-methylpropan-2-yl)oxy-2-pyridinyl]amino]-2-methylpyridazin-3-one;2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanal

6-chloro-4-[[5-(1-hydroxy-2-methylpropan-2-yl)oxy-2-pyridinyl]amino]-2-methylpyridazin-3-one;2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanal (PubChem CID 161188624) has the molecular formula C28H32Cl2N8O6 and a molecular weight of 647.52 g/mol. Its IUPAC name is 6-chloro-4-[[5-(1-hydroxy-2-methylpropan-2-yl)oxy-2-pyridinyl]amino]-2-methylpyridazin-3-one;2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanal.

Molecular Properties

• Compound Name: 6-chloro-4-[[5-(1-hydroxy-2-methylpropan-2-yl)oxy-2-pyridinyl]amino]-2-methylpyridazin-3-one;2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanal
• PubChem CID: 161188624
• Molecular Formula: C28H32Cl2N8O6
• Molecular Weight: 647.52 g/mol
• Exact Mass: 646.18
• IUPAC Name: 6-chloro-4-[[5-(1-hydroxy-2-methylpropan-2-yl)oxy-2-pyridinyl]amino]-2-methylpyridazin-3-one;2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanal
• SMILES: Cn1nc(Cl)cc(Nc2ccc(OC(C)(C)C=O)cn2)c1=O.Cn1nc(Cl)cc(Nc2ccc(OC(C)(C)CO)cn2)c1=O
• InChI: InChI=1S/C14H17ClN4O3.C14H15ClN4O3/c2*1-14(2,8-20)22-9-4-5-12(16-7-9)17-10-6-11(15)18-19(3)13(10)21/h4-7,20H,8H2,1-3H3,(H,16,17);4-8H,1-3H3,(H,16,17)
• InChIKey: UTKOAFBFKWEKIS-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 175.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.52
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[[5-(1-hydroxy-2-methylpropan-2-yl)oxy-2-pyridinyl]amino]-2-methylpyridazin-3-one;2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanal?

The IUPAC name of 6-chloro-4-[[5-(1-hydroxy-2-methylpropan-2-yl)oxy-2-pyridinyl]amino]-2-methylpyridazin-3-one;2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanal (CID 161188624) is 6-chloro-4-[[5-(1-hydroxy-2-methylpropan-2-yl)oxy-2-pyridinyl]amino]-2-methylpyridazin-3-one;2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanal.

What is the SMILES notation for 6-chloro-4-[[5-(1-hydroxy-2-methylpropan-2-yl)oxy-2-pyridinyl]amino]-2-methylpyridazin-3-one;2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanal?

The canonical SMILES for 6-chloro-4-[[5-(1-hydroxy-2-methylpropan-2-yl)oxy-2-pyridinyl]amino]-2-methylpyridazin-3-one;2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanal is Cn1nc(Cl)cc(Nc2ccc(OC(C)(C)C=O)cn2)c1=O.Cn1nc(Cl)cc(Nc2ccc(OC(C)(C)CO)cn2)c1=O.

What is the InChIKey of 6-chloro-4-[[5-(1-hydroxy-2-methylpropan-2-yl)oxy-2-pyridinyl]amino]-2-methylpyridazin-3-one;2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanal?

The InChIKey is UTKOAFBFKWEKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3.C14H15ClN4O3/c2*1-14(2,8-20)22-9-4-5-12(16-7-9)17-10-6-11(15)18-19(3)13(10)21/h4-7,20H,8H2,1-3H3,(H,16,17);4-8H,1-3H3,(H,16,17).

What are the key properties of 6-chloro-4-[[5-(1-hydroxy-2-methylpropan-2-yl)oxy-2-pyridinyl]amino]-2-methylpyridazin-3-one;2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanal?

6-chloro-4-[[5-(1-hydroxy-2-methylpropan-2-yl)oxy-2-pyridinyl]amino]-2-methylpyridazin-3-one;2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanal has a molecular weight of 647.52 g/mol, XLogP of 3.65, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-[[5-(1-hydroxy-2-methylpropan-2-yl)oxy-2-pyridinyl]amino]-2-methylpyridazin-3-one;2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanal is sourced from PubChem (CID 161188624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).