3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C21H22N8O2S — CID 59233137

About 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 59233137) has the molecular formula C21H22N8O2S and a molecular weight of 450.53 g/mol. Its IUPAC name is 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 59233137
• Molecular Formula: C21H22N8O2S
• Molecular Weight: 450.53 g/mol
• Exact Mass: 450.16
• IUPAC Name: 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: CC(C)CNC(=O)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1
• InChI: InChI=1S/C21H22N8O2S/c1-12(2)9-22-19(30)14-5-6-17-25-26-21(28(17)10-14)32-18-8-7-16-23-15(11-29(16)27-18)24-20(31)13-3-4-13/h5-8,10-13H,3-4,9H2,1-2H3,(H,22,30)(H,24,31)
• InChIKey: ZBDZZUYACDNUHO-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 118.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.53
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The IUPAC name of 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 59233137) is 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

What is the SMILES notation for 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The canonical SMILES for 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(C)CNC(=O)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.

What is the InChIKey of 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The InChIKey is ZBDZZUYACDNUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2S/c1-12(2)9-22-19(30)14-5-6-17-25-26-21(28(17)10-14)32-18-8-7-16-23-15(11-29(16)27-18)24-20(31)13-3-4-13/h5-8,10-13H,3-4,9H2,1-2H3,(H,22,30)(H,24,31).

What are the key properties of 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 450.53 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 59233137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).