6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)imidazo[1,2-b]pyridazine-3-carboxamide

C19H20FN5O2 — CID 56940863

About 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)imidazo[1,2-b]pyridazine-3-carboxamide

6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 56940863) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 56940863
• Molecular Formula: C19H20FN5O2
• Molecular Weight: 369.40 g/mol
• Exact Mass: 369.16
• IUPAC Name: 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: O=C(NCCO)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
• InChI: InChI=1S/C19H20FN5O2/c20-14-4-1-3-13(11-14)15-5-2-9-24(15)18-7-6-17-22-12-16(25(17)23-18)19(27)21-8-10-26/h1,3-4,6-7,11-12,15,26H,2,5,8-10H2,(H,21,27)/t15-/m1/s1
• InChIKey: DEXOVQGAXWBBPS-OAHLLOKOSA-N
• XLogP: 1.93
• TPSA: 82.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.40
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 56940863) is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)imidazo[1,2-b]pyridazine-3-carboxamide.

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

The canonical SMILES for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)imidazo[1,2-b]pyridazine-3-carboxamide is O=C(NCCO)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12.

What is the InChIKey of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is DEXOVQGAXWBBPS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20FN5O2/c20-14-4-1-3-13(11-14)15-5-2-9-24(15)18-7-6-17-22-12-16(25(17)23-18)19(27)21-8-10-26/h1,3-4,6-7,11-12,15,26H,2,5,8-10H2,(H,21,27)/t15-/m1/s1.

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

6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 56940863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).