(4S)-4-amino-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 2-[(3R)-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[(3S)-5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-(2,5-difluoro-3-pyridinyl)ethanol

C99H99BBr2ClF8N21O13 — CID 158971366

About (4S)-4-amino-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 2-[(3R)-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[(3S)-5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-(2,5-difluoro-3-pyridinyl)ethanol

(4S)-4-amino-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 2-[(3R)-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[(3S)-5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-(2,5-difluoro-3-pyridinyl)ethanol (PubChem CID 158971366) has the molecular formula C99H99BBr2ClF8N21O13 and a molecular weight of 2149.07 g/mol. Its IUPAC name is (4S)-4-amino-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 2-[(3R)-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[(3S)-5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-(2,5-difluoro-3-pyridinyl)ethanol.

Molecular Properties

• Compound Name: (4S)-4-amino-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 2-[(3R)-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[(3S)-5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-(2,5-difluoro-3-pyridinyl)ethanol
• PubChem CID: 158971366
• Molecular Formula: C99H99BBr2ClF8N21O13
• Molecular Weight: 2149.07 g/mol
• Exact Mass: 2145.58
• IUPAC Name: (4S)-4-amino-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 2-[(3R)-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[(3S)-5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-(2,5-difluoro-3-pyridinyl)ethanol
• SMILES: CC(C)(C)OC(=O)N[C@H]1CC(=O)N(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1.CC(O)c1cc(F)cnc1F.CC(Oc1ccc2ncc(-c3ccc(N4C[C@@H](CC(=O)OC(C)(C)C)CC4=O)cc3)n2n1)c1cc(F)cnc1F.CC(Oc1ccc2ncc(-c3ccc(N4C[C@@H](N)CC4=O)cc3)n2n1)c1cc(F)cnc1F.CC(Oc1ccc2ncc(Br)n2n1)c1cc(F)cnc1F.Clc1ccc2ncc(Br)n2n1
• InChI: InChI=1S/C29H29F2N5O4.C23H20F2N6O2.C21H31BN2O5.C13H9BrF2N4O.C7H7F2NO.C6H3BrClN3/c1-17(22-13-20(30)14-33-28(22)31)39-25-10-9-24-32-15-23(36(24)34-25)19-5-7-21(8-6-19)35-16-18(11-26(35)37)12-27(38)40-29(2,3)4;1-13(18-8-15(24)10-28-23(18)25)33-21-7-6-20-27-11-19(31(20)29-21)14-2-4-17(5-3-14)30-12-16(26)9-22(30)32;1-19(2,3)27-18(26)23-15-12-17(25)24(13-15)16-10-8-14(9-11-16)22-28-20(4,5)21(6,7)29-22;1-7(9-4-8(15)5-18-13(9)16)21-12-3-2-11-17-6-10(14)20(11)19-12;1-4(11)6-2-5(8)3-10-7(6)9;7-4-3-9-6-2-1-5(8)10-11(4)6/h5-10,13-15,17-18H,11-12,16H2,1-4H3;2-8,10-11,13,16H,9,12,26H2,1H3;8-11,15H,12-13H2,1-7H3,(H,23,26);2-7H,1H3;2-4,11H,1H3;1-3H/t17?,18-;13?,16-;15-;;;/m100.../s1
• InChIKey: JNWBDQYOKOPDBJ-ILQIKWQDSA-N
• XLogP: 18.05
• TPSA: 390.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2149.07
LogP ≤ 5	18.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 2-[(3R)-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[(3S)-5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-(2,5-difluoro-3-pyridinyl)ethanol?

The IUPAC name of (4S)-4-amino-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 2-[(3R)-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[(3S)-5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-(2,5-difluoro-3-pyridinyl)ethanol (CID 158971366) is (4S)-4-amino-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 2-[(3R)-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[(3S)-5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-(2,5-difluoro-3-pyridinyl)ethanol.

What is the SMILES notation for (4S)-4-amino-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 2-[(3R)-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[(3S)-5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-(2,5-difluoro-3-pyridinyl)ethanol?

The canonical SMILES for (4S)-4-amino-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 2-[(3R)-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[(3S)-5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-(2,5-difluoro-3-pyridinyl)ethanol is CC(C)(C)OC(=O)N[C@H]1CC(=O)N(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1.CC(O)c1cc(F)cnc1F.CC(Oc1ccc2ncc(-c3ccc(N4C[C@@H](CC(=O)OC(C)(C)C)CC4=O)cc3)n2n1)c1cc(F)cnc1F.CC(Oc1ccc2ncc(-c3ccc(N4C[C@@H](N)CC4=O)cc3)n2n1)c1cc(F)cnc1F.CC(Oc1ccc2ncc(Br)n2n1)c1cc(F)cnc1F.Clc1ccc2ncc(Br)n2n1.

What is the InChIKey of (4S)-4-amino-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 2-[(3R)-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[(3S)-5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-(2,5-difluoro-3-pyridinyl)ethanol?

The InChIKey is JNWBDQYOKOPDBJ-ILQIKWQDSA-N. The full InChI is InChI=1S/C29H29F2N5O4.C23H20F2N6O2.C21H31BN2O5.C13H9BrF2N4O.C7H7F2NO.C6H3BrClN3/c1-17(22-13-20(30)14-33-28(22)31)39-25-10-9-24-32-15-23(36(24)34-25)19-5-7-21(8-6-19)35-16-18(11-26(35)37)12-27(38)40-29(2,3)4;1-13(18-8-15(24)10-28-23(18)25)33-21-7-6-20-27-11-19(31(20)29-21)14-2-4-17(5-3-14)30-12-16(26)9-22(30)32;1-19(2,3)27-18(26)23-15-12-17(25)24(13-15)16-10-8-14(9-11-16)22-28-20(4,5)21(6,7)29-22;1-7(9-4-8(15)5-18-13(9)16)21-12-3-2-11-17-6-10(14)20(11)19-12;1-4(11)6-2-5(8)3-10-7(6)9;7-4-3-9-6-2-1-5(8)10-11(4)6/h5-10,13-15,17-18H,11-12,16H2,1-4H3;2-8,10-11,13,16H,9,12,26H2,1H3;8-11,15H,12-13H2,1-7H3,(H,23,26);2-7H,1H3;2-4,11H,1H3;1-3H/t17?,18-;13?,16-;15-;;;/m100.../s1.

What are the key properties of (4S)-4-amino-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 2-[(3R)-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[(3S)-5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-(2,5-difluoro-3-pyridinyl)ethanol?

(4S)-4-amino-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 2-[(3R)-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[(3S)-5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-(2,5-difluoro-3-pyridinyl)ethanol has a molecular weight of 2149.07 g/mol, XLogP of 18.05, 19 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-amino-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 2-[(3R)-1-[4-[6-[1-(2,5-difluoro-3-pyridinyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[(3S)-5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-(2,5-difluoro-3-pyridinyl)ethanol is sourced from PubChem (CID 158971366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).