N-(3-fluoro-4-(111C)methoxyphenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C24H21F2N5O2 — CID 166720707

About N-(3-fluoro-4-(111C)methoxyphenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide

N-(3-fluoro-4-(111C)methoxyphenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 166720707) has the molecular formula C24H21F2N5O2 and a molecular weight of 448.46 g/mol. Its IUPAC name is N-(3-fluoro-4-(111C)methoxyphenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-fluoro-4-(111C)methoxyphenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 166720707
• Molecular Formula: C24H21F2N5O2
• Molecular Weight: 448.46 g/mol
• Exact Mass: 448.18
• IUPAC Name: N-(3-fluoro-4-(111C)methoxyphenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: [11CH3]Oc1ccc(NC(=O)c2cnc3ccc(N4CCC[C@@H]4c4cccc(F)c4)nn23)cc1F
• InChI: InChI=1S/C24H21F2N5O2/c1-33-21-8-7-17(13-18(21)26)28-24(32)20-14-27-22-9-10-23(29-31(20)22)30-11-3-6-19(30)15-4-2-5-16(25)12-15/h2,4-5,7-10,12-14,19H,3,6,11H2,1H3,(H,28,32)/t19-/m1/s1/i1-1
• InChIKey: SBJGDMUFZUASHU-RQCQXWEWSA-N
• XLogP: 4.61
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.46
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-(111C)methoxyphenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of N-(3-fluoro-4-(111C)methoxyphenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 166720707) is N-(3-fluoro-4-(111C)methoxyphenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for N-(3-fluoro-4-(111C)methoxyphenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for N-(3-fluoro-4-(111C)methoxyphenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is [11CH3]Oc1ccc(NC(=O)c2cnc3ccc(N4CCC[C@@H]4c4cccc(F)c4)nn23)cc1F.

What is the InChIKey of N-(3-fluoro-4-(111C)methoxyphenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is SBJGDMUFZUASHU-RQCQXWEWSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c1-33-21-8-7-17(13-18(21)26)28-24(32)20-14-27-22-9-10-23(29-31(20)22)30-11-3-6-19(30)15-4-2-5-16(25)12-15/h2,4-5,7-10,12-14,19H,3,6,11H2,1H3,(H,28,32)/t19-/m1/s1/i1-1.

What are the key properties of N-(3-fluoro-4-(111C)methoxyphenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

N-(3-fluoro-4-(111C)methoxyphenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 448.46 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-fluoro-4-(111C)methoxyphenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 166720707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).