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

C27H32N8O2S — CID 143942700

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

cyclopropanecarbaldehyde;N-methyl-6-[1-[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-amine (PubChem CID 143942700) has the molecular formula C27H32N8O2S and a molecular weight of 532.67 g/mol. Its IUPAC name is cyclopropanecarbaldehyde;N-methyl-6-[1-[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-amine.

Molecular Properties

• Compound Name: cyclopropanecarbaldehyde;N-methyl-6-[1-[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-amine
• PubChem CID: 143942700
• Molecular Formula: C27H32N8O2S
• Molecular Weight: 532.67 g/mol
• Exact Mass: 532.24
• IUPAC Name: cyclopropanecarbaldehyde;N-methyl-6-[1-[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-amine
• SMILES: CNc1cn2nc(C(C)c3nnc4ccc(-c5ccc(CNCCSC)o5)cn34)ccc2n1.O=CC1CC1
• InChI: InChI=1S/C23H26N8OS.C4H6O/c1-15(18-6-9-21-26-20(24-2)14-31(21)29-18)23-28-27-22-8-4-16(13-30(22)23)19-7-5-17(32-19)12-25-10-11-33-3;5-3-4-1-2-4/h4-9,13-15,24-25H,10-12H2,1-3H3;3-4H,1-2H2
• InChIKey: QMZXUPCYVGANLZ-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 114.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.67
LogP ≤ 5	4.27
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-[1-[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-amine?

The IUPAC name of cyclopropanecarbaldehyde;N-methyl-6-[1-[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-amine (CID 143942700) is cyclopropanecarbaldehyde;N-methyl-6-[1-[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-amine.

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

The canonical SMILES for cyclopropanecarbaldehyde;N-methyl-6-[1-[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-amine is CNc1cn2nc(C(C)c3nnc4ccc(-c5ccc(CNCCSC)o5)cn34)ccc2n1.O=CC1CC1.

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

The InChIKey is QMZXUPCYVGANLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8OS.C4H6O/c1-15(18-6-9-21-26-20(24-2)14-31(21)29-18)23-28-27-22-8-4-16(13-30(22)23)19-7-5-17(32-19)12-25-10-11-33-3;5-3-4-1-2-4/h4-9,13-15,24-25H,10-12H2,1-3H3;3-4H,1-2H2.

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

cyclopropanecarbaldehyde;N-methyl-6-[1-[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-amine has a molecular weight of 532.67 g/mol, XLogP of 4.27, 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-[1-[6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-amine is sourced from PubChem (CID 143942700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).