8-anilino-6-(cyclohexylamino)-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C29H29N7O2 — CID 144795147

About 8-anilino-6-(cyclohexylamino)-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

8-anilino-6-(cyclohexylamino)-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 144795147) has the molecular formula C29H29N7O2 and a molecular weight of 507.60 g/mol. Its IUPAC name is 8-anilino-6-(cyclohexylamino)-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 8-anilino-6-(cyclohexylamino)-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 144795147
• Molecular Formula: C29H29N7O2
• Molecular Weight: 507.60 g/mol
• Exact Mass: 507.24
• IUPAC Name: 8-anilino-6-(cyclohexylamino)-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: Cc1nc(-c2cccc(NC(=O)c3cnc4c(Nc5ccccc5)cc(NC5CCCCC5)nn34)c2)co1
• InChI: InChI=1S/C29H29N7O2/c1-19-31-25(18-38-19)20-9-8-14-23(15-20)34-29(37)26-17-30-28-24(32-21-10-4-2-5-11-21)16-27(35-36(26)28)33-22-12-6-3-7-13-22/h2,4-5,8-11,14-18,22,32H,3,6-7,12-13H2,1H3,(H,33,35)(H,34,37)
• InChIKey: RMDYCYMKRCPCHF-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 109.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.60
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-anilino-6-(cyclohexylamino)-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 8-anilino-6-(cyclohexylamino)-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 144795147) is 8-anilino-6-(cyclohexylamino)-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 8-anilino-6-(cyclohexylamino)-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 8-anilino-6-(cyclohexylamino)-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is Cc1nc(-c2cccc(NC(=O)c3cnc4c(Nc5ccccc5)cc(NC5CCCCC5)nn34)c2)co1.

What is the InChIKey of 8-anilino-6-(cyclohexylamino)-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is RMDYCYMKRCPCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O2/c1-19-31-25(18-38-19)20-9-8-14-23(15-20)34-29(37)26-17-30-28-24(32-21-10-4-2-5-11-21)16-27(35-36(26)28)33-22-12-6-3-7-13-22/h2,4-5,8-11,14-18,22,32H,3,6-7,12-13H2,1H3,(H,33,35)(H,34,37).

What are the key properties of 8-anilino-6-(cyclohexylamino)-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?

8-anilino-6-(cyclohexylamino)-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 507.60 g/mol, XLogP of 6.43, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-anilino-6-(cyclohexylamino)-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 144795147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).