2-fluoro-N-[(3R)-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-N,2-dimethylpropanamide

C30H33F2N7O — CID 143894682

About 2-fluoro-N-[(3R)-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-N,2-dimethylpropanamide

2-fluoro-N-[(3R)-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-N,2-dimethylpropanamide (PubChem CID 143894682) has the molecular formula C30H33F2N7O and a molecular weight of 545.64 g/mol. Its IUPAC name is 2-fluoro-N-[(3R)-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-N,2-dimethylpropanamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[(3R)-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-N,2-dimethylpropanamide
• PubChem CID: 143894682
• Molecular Formula: C30H33F2N7O
• Molecular Weight: 545.64 g/mol
• Exact Mass: 545.27
• IUPAC Name: 2-fluoro-N-[(3R)-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-N,2-dimethylpropanamide
• SMILES: CN(C(=O)C(C)(C)F)[C@@H]1CCN(c2cccc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)n2)C1
• InChI: InChI=1S/C30H33F2N7O/c1-30(2,32)29(40)36(3)22-14-16-37(19-22)27-11-5-9-23(34-27)25-18-33-26-12-13-28(35-39(25)26)38-15-6-10-24(38)20-7-4-8-21(31)17-20/h4-5,7-9,11-13,17-18,22,24H,6,10,14-16,19H2,1-3H3/t22-,24?/m1/s1
• InChIKey: KQMGBRWNZIGDDC-LETIRJCYSA-N
• XLogP: 5.06
• TPSA: 69.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.64
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3R)-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-N,2-dimethylpropanamide?

The IUPAC name of 2-fluoro-N-[(3R)-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-N,2-dimethylpropanamide (CID 143894682) is 2-fluoro-N-[(3R)-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-N,2-dimethylpropanamide.

What is the SMILES notation for 2-fluoro-N-[(3R)-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-N,2-dimethylpropanamide?

The canonical SMILES for 2-fluoro-N-[(3R)-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-N,2-dimethylpropanamide is CN(C(=O)C(C)(C)F)[C@@H]1CCN(c2cccc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)n2)C1.

What is the InChIKey of 2-fluoro-N-[(3R)-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-N,2-dimethylpropanamide?

The InChIKey is KQMGBRWNZIGDDC-LETIRJCYSA-N. The full InChI is InChI=1S/C30H33F2N7O/c1-30(2,32)29(40)36(3)22-14-16-37(19-22)27-11-5-9-23(34-27)25-18-33-26-12-13-28(35-39(25)26)38-15-6-10-24(38)20-7-4-8-21(31)17-20/h4-5,7-9,11-13,17-18,22,24H,6,10,14-16,19H2,1-3H3/t22-,24?/m1/s1.

What are the key properties of 2-fluoro-N-[(3R)-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-N,2-dimethylpropanamide?

2-fluoro-N-[(3R)-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-N,2-dimethylpropanamide has a molecular weight of 545.64 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[(3R)-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 143894682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).