N-[[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]imidazo[1,2-b]pyridazin-7-yl]-(oxan-4-yl)methyl]-2-(3,3-difluorocyclobutyl)acetamide

C24H32F5N5O3 — CID 167245905

About N-[[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]imidazo[1,2-b]pyridazin-7-yl]-(oxan-4-yl)methyl]-2-(3,3-difluorocyclobutyl)acetamide

N-[[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]imidazo[1,2-b]pyridazin-7-yl]-(oxan-4-yl)methyl]-2-(3,3-difluorocyclobutyl)acetamide (PubChem CID 167245905) has the molecular formula C24H32F5N5O3 and a molecular weight of 533.54 g/mol. Its IUPAC name is N-[[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]imidazo[1,2-b]pyridazin-7-yl]-(oxan-4-yl)methyl]-2-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

• Compound Name: N-[[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]imidazo[1,2-b]pyridazin-7-yl]-(oxan-4-yl)methyl]-2-(3,3-difluorocyclobutyl)acetamide
• PubChem CID: 167245905
• Molecular Formula: C24H32F5N5O3
• Molecular Weight: 533.54 g/mol
• Exact Mass: 533.24
• IUPAC Name: N-[[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]imidazo[1,2-b]pyridazin-7-yl]-(oxan-4-yl)methyl]-2-(3,3-difluorocyclobutyl)acetamide
• SMILES: CC(C)(OC[C@H](N)c1cn2ncc(C(NC(=O)CC3CC(F)(F)C3)C3CCOCC3)cc2n1)C(F)(F)F
• InChI: InChI=1S/C24H32F5N5O3/c1-22(2,24(27,28)29)37-13-17(30)18-12-34-19(32-18)8-16(11-31-34)21(15-3-5-36-6-4-15)33-20(35)7-14-9-23(25,26)10-14/h8,11-12,14-15,17,21H,3-7,9-10,13,30H2,1-2H3,(H,33,35)/t17-,21?/m0/s1
• InChIKey: ZQMZQGYXOJHXIY-PBVYKCSPSA-N
• XLogP: 4.11
• TPSA: 103.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.54
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]imidazo[1,2-b]pyridazin-7-yl]-(oxan-4-yl)methyl]-2-(3,3-difluorocyclobutyl)acetamide?

The IUPAC name of N-[[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]imidazo[1,2-b]pyridazin-7-yl]-(oxan-4-yl)methyl]-2-(3,3-difluorocyclobutyl)acetamide (CID 167245905) is N-[[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]imidazo[1,2-b]pyridazin-7-yl]-(oxan-4-yl)methyl]-2-(3,3-difluorocyclobutyl)acetamide.

What is the SMILES notation for N-[[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]imidazo[1,2-b]pyridazin-7-yl]-(oxan-4-yl)methyl]-2-(3,3-difluorocyclobutyl)acetamide?

The canonical SMILES for N-[[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]imidazo[1,2-b]pyridazin-7-yl]-(oxan-4-yl)methyl]-2-(3,3-difluorocyclobutyl)acetamide is CC(C)(OC[C@H](N)c1cn2ncc(C(NC(=O)CC3CC(F)(F)C3)C3CCOCC3)cc2n1)C(F)(F)F.

What is the InChIKey of N-[[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]imidazo[1,2-b]pyridazin-7-yl]-(oxan-4-yl)methyl]-2-(3,3-difluorocyclobutyl)acetamide?

The InChIKey is ZQMZQGYXOJHXIY-PBVYKCSPSA-N. The full InChI is InChI=1S/C24H32F5N5O3/c1-22(2,24(27,28)29)37-13-17(30)18-12-34-19(32-18)8-16(11-31-34)21(15-3-5-36-6-4-15)33-20(35)7-14-9-23(25,26)10-14/h8,11-12,14-15,17,21H,3-7,9-10,13,30H2,1-2H3,(H,33,35)/t17-,21?/m0/s1.

What are the key properties of N-[[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]imidazo[1,2-b]pyridazin-7-yl]-(oxan-4-yl)methyl]-2-(3,3-difluorocyclobutyl)acetamide?

N-[[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]imidazo[1,2-b]pyridazin-7-yl]-(oxan-4-yl)methyl]-2-(3,3-difluorocyclobutyl)acetamide has a molecular weight of 533.54 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]imidazo[1,2-b]pyridazin-7-yl]-(oxan-4-yl)methyl]-2-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 167245905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).