N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;prop-1-ene

C23H33F4N5O — CID 157030695

About N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;prop-1-ene

N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;prop-1-ene (PubChem CID 157030695) has the molecular formula C23H33F4N5O and a molecular weight of 471.54 g/mol. Its IUPAC name is N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;prop-1-ene.

Molecular Properties

• Compound Name: N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;prop-1-ene
• PubChem CID: 157030695
• Molecular Formula: C23H33F4N5O
• Molecular Weight: 471.54 g/mol
• Exact Mass: 471.26
• IUPAC Name: N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;prop-1-ene
• SMILES: C=CC.FC1(F)CCCCC1.NCc1cn2ncc(CNC(=O)CC3CC(F)(F)C3)cc2n1
• InChI: InChI=1S/C14H17F2N5O.C6H10F2.C3H6/c15-14(16)3-9(4-14)2-13(22)18-6-10-1-12-20-11(5-17)8-21(12)19-7-10;7-6(8)4-2-1-3-5-6;1-3-2/h1,7-9H,2-6,17H2,(H,18,22);1-5H2;3H,1H2,2H3
• InChIKey: BIYNUJBPJHBZQT-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 85.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.54
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;prop-1-ene?

The IUPAC name of N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;prop-1-ene (CID 157030695) is N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;prop-1-ene.

What is the SMILES notation for N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;prop-1-ene?

The canonical SMILES for N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;prop-1-ene is C=CC.FC1(F)CCCCC1.NCc1cn2ncc(CNC(=O)CC3CC(F)(F)C3)cc2n1.

What is the InChIKey of N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;prop-1-ene?

The InChIKey is BIYNUJBPJHBZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5O.C6H10F2.C3H6/c15-14(16)3-9(4-14)2-13(22)18-6-10-1-12-20-11(5-17)8-21(12)19-7-10;7-6(8)4-2-1-3-5-6;1-3-2/h1,7-9H,2-6,17H2,(H,18,22);1-5H2;3H,1H2,2H3.

What are the key properties of N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;prop-1-ene?

N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;prop-1-ene has a molecular weight of 471.54 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;prop-1-ene is sourced from PubChem (CID 157030695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).