6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C25H32N8O2 — CID 144795173

About 6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 144795173) has the molecular formula C25H32N8O2 and a molecular weight of 476.59 g/mol. Its IUPAC name is 6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 144795173
• Molecular Formula: C25H32N8O2
• Molecular Weight: 476.59 g/mol
• Exact Mass: 476.26
• IUPAC Name: 6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CNc1cc(NC2CCCCC2)nn2c(C(=O)Nc3cccc(C4=NC(C(C)C)ON4)c3)cnc12
• InChI: InChI=1S/C25H32N8O2/c1-15(2)25-30-22(32-35-25)16-8-7-11-18(12-16)29-24(34)20-14-27-23-19(26-3)13-21(31-33(20)23)28-17-9-5-4-6-10-17/h7-8,11-15,17,25-26H,4-6,9-10H2,1-3H3,(H,28,31)(H,29,34)(H,30,32)
• InChIKey: FIOAUJOOLGSNEM-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 116.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.59
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 144795173) is 6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(NC2CCCCC2)nn2c(C(=O)Nc3cccc(C4=NC(C(C)C)ON4)c3)cnc12.

What is the InChIKey of 6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is FIOAUJOOLGSNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O2/c1-15(2)25-30-22(32-35-25)16-8-7-11-18(12-16)29-24(34)20-14-27-23-19(26-3)13-21(31-33(20)23)28-17-9-5-4-6-10-17/h7-8,11-15,17,25-26H,4-6,9-10H2,1-3H3,(H,28,31)(H,29,34)(H,30,32).

What are the key properties of 6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?

6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 476.59 g/mol, XLogP of 4.03, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 144795173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).