5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-chloro-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]pyridine-3-carboxamide

C25H21ClF2N6O3 — CID 165437147

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-chloro-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]pyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-chloro-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]pyridine-3-carboxamide (PubChem CID 165437147) has the molecular formula C25H21ClF2N6O3 and a molecular weight of 526.93 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-chloro-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-chloro-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]pyridine-3-carboxamide
• PubChem CID: 165437147
• Molecular Formula: C25H21ClF2N6O3
• Molecular Weight: 526.93 g/mol
• Exact Mass: 526.13
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-chloro-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]pyridine-3-carboxamide
• SMILES: CC(=O)Nc1cn2nc(-c3cnc(Cl)c(C(=O)NCc4cc(F)cc(F)c4OCC4CC4)c3)ccc2n1
• InChI: InChI=1S/C25H21ClF2N6O3/c1-13(35)31-21-11-34-22(32-21)5-4-20(33-34)15-7-18(24(26)29-9-15)25(36)30-10-16-6-17(27)8-19(28)23(16)37-12-14-2-3-14/h4-9,11,14H,2-3,10,12H2,1H3,(H,30,36)(H,31,35)
• InChIKey: DEAUYZXLPQVIRI-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 110.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.93
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-chloro-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]pyridine-3-carboxamide?

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-chloro-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]pyridine-3-carboxamide (CID 165437147) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-chloro-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-chloro-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]pyridine-3-carboxamide?

The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-chloro-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]pyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cnc(Cl)c(C(=O)NCc4cc(F)cc(F)c4OCC4CC4)c3)ccc2n1.

What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-chloro-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]pyridine-3-carboxamide?

The InChIKey is DEAUYZXLPQVIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N6O3/c1-13(35)31-21-11-34-22(32-21)5-4-20(33-34)15-7-18(24(26)29-9-15)25(36)30-10-16-6-17(27)8-19(28)23(16)37-12-14-2-3-14/h4-9,11,14H,2-3,10,12H2,1H3,(H,30,36)(H,31,35).

What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-chloro-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]pyridine-3-carboxamide?

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-chloro-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]pyridine-3-carboxamide has a molecular weight of 526.93 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-chloro-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 165437147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).