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

C25H30N8OS — CID 144795152

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

6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 144795152) has the molecular formula C25H30N8OS and a molecular weight of 490.64 g/mol. Its IUPAC name is 6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 144795152
• Molecular Formula: C25H30N8OS
• Molecular Weight: 490.64 g/mol
• Exact Mass: 490.23
• IUPAC Name: 6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CNc1cc(NC2CCCCC2)nn2c(C(=O)Nc3cccc(-c4nnc(C(C)C)s4)c3)cnc12
• InChI: InChI=1S/C25H30N8OS/c1-15(2)24-30-31-25(35-24)16-8-7-11-18(12-16)29-23(34)20-14-27-22-19(26-3)13-21(32-33(20)22)28-17-9-5-4-6-10-17/h7-8,11-15,17,26H,4-6,9-10H2,1-3H3,(H,28,32)(H,29,34)
• InChIKey: ROPJUMSPLFSDFE-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 109.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.64
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	3
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-1,3,4-thiadiazol-2-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 144795152) is 6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-1,3,4-thiadiazol-2-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-1,3,4-thiadiazol-2-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(NC2CCCCC2)nn2c(C(=O)Nc3cccc(-c4nnc(C(C)C)s4)c3)cnc12.

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

The InChIKey is ROPJUMSPLFSDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8OS/c1-15(2)24-30-31-25(35-24)16-8-7-11-18(12-16)29-23(34)20-14-27-22-19(26-3)13-21(32-33(20)22)28-17-9-5-4-6-10-17/h7-8,11-15,17,26H,4-6,9-10H2,1-3H3,(H,28,32)(H,29,34).

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

6-(cyclohexylamino)-8-(methylamino)-N-[3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 490.64 g/mol, XLogP of 5.41, 7 rotatable bonds, 3 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-1,3,4-thiadiazol-2-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 144795152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).