2-cyano-N-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide

C19H17FN6O — CID 66685108

About 2-cyano-N-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide

2-cyano-N-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide (PubChem CID 66685108) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-cyano-N-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-cyano-N-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide
• PubChem CID: 66685108
• Molecular Formula: C19H17FN6O
• Molecular Weight: 364.38 g/mol
• Exact Mass: 364.14
• IUPAC Name: 2-cyano-N-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide
• SMILES: N#CCC(=O)Nc1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
• InChI: InChI=1S/C19H17FN6O/c20-14-4-1-3-13(11-14)15-5-2-10-25(15)17-7-6-16-22-12-18(26(16)24-17)23-19(27)8-9-21/h1,3-4,6-7,11-12,15H,2,5,8,10H2,(H,23,27)/t15-/m1/s1
• InChIKey: XSOIVZYJAHKLIO-OAHLLOKOSA-N
• XLogP: 3.06
• TPSA: 86.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.38
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-cyano-N-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide (CID 66685108) is 2-cyano-N-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide.

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

The canonical SMILES for 2-cyano-N-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide is N#CCC(=O)Nc1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12.

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

The InChIKey is XSOIVZYJAHKLIO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17FN6O/c20-14-4-1-3-13(11-14)15-5-2-10-25(15)17-7-6-16-22-12-18(26(16)24-17)23-19(27)8-9-21/h1,3-4,6-7,11-12,15H,2,5,8,10H2,(H,23,27)/t15-/m1/s1.

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

2-cyano-N-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide has a molecular weight of 364.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-N-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide is sourced from PubChem (CID 66685108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).