cyclopropanecarbaldehyde;N-methyl-6-[[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-amine

C26H30N8O2S — CID 143942714

About cyclopropanecarbaldehyde;N-methyl-6-[[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-amine

cyclopropanecarbaldehyde;N-methyl-6-[[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-amine (PubChem CID 143942714) has the molecular formula C26H30N8O2S and a molecular weight of 518.65 g/mol. Its IUPAC name is cyclopropanecarbaldehyde;N-methyl-6-[[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-amine.

Molecular Properties

• Compound Name: cyclopropanecarbaldehyde;N-methyl-6-[[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-amine
• PubChem CID: 143942714
• Molecular Formula: C26H30N8O2S
• Molecular Weight: 518.65 g/mol
• Exact Mass: 518.22
• IUPAC Name: cyclopropanecarbaldehyde;N-methyl-6-[[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-amine
• SMILES: CNc1cn2nc(Cc3nnc4ccc(-c5ccc(CNCCSC)o5)cn34)ccc2n1.O=CC1CC1
• InChI: InChI=1S/C22H24N8OS.C4H6O/c1-23-19-14-30-20(25-19)8-4-16(28-30)11-22-27-26-21-7-3-15(13-29(21)22)18-6-5-17(31-18)12-24-9-10-32-2;5-3-4-1-2-4/h3-8,13-14,23-24H,9-12H2,1-2H3;3-4H,1-2H2
• InChIKey: FKSQWUZWWZSGAS-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 114.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.65
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarbaldehyde;N-methyl-6-[[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-amine?

The IUPAC name of cyclopropanecarbaldehyde;N-methyl-6-[[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-amine (CID 143942714) is cyclopropanecarbaldehyde;N-methyl-6-[[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-amine.

What is the SMILES notation for cyclopropanecarbaldehyde;N-methyl-6-[[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-amine?

The canonical SMILES for cyclopropanecarbaldehyde;N-methyl-6-[[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-amine is CNc1cn2nc(Cc3nnc4ccc(-c5ccc(CNCCSC)o5)cn34)ccc2n1.O=CC1CC1.

What is the InChIKey of cyclopropanecarbaldehyde;N-methyl-6-[[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-amine?

The InChIKey is FKSQWUZWWZSGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8OS.C4H6O/c1-23-19-14-30-20(25-19)8-4-16(28-30)11-22-27-26-21-7-3-15(13-29(21)22)18-6-5-17(31-18)12-24-9-10-32-2;5-3-4-1-2-4/h3-8,13-14,23-24H,9-12H2,1-2H3;3-4H,1-2H2.

What are the key properties of cyclopropanecarbaldehyde;N-methyl-6-[[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-amine?

cyclopropanecarbaldehyde;N-methyl-6-[[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-amine has a molecular weight of 518.65 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropanecarbaldehyde;N-methyl-6-[[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-amine is sourced from PubChem (CID 143942714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).