(4R)-4-amino-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl N-[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate

C83H83Br2F3N14O10 — CID 159548961

About (4R)-4-amino-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl N-[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate

(4R)-4-amino-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl N-[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate (PubChem CID 159548961) has the molecular formula C83H83Br2F3N14O10 and a molecular weight of 1653.47 g/mol. Its IUPAC name is (4R)-4-amino-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl N-[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate.

Molecular Properties

• Compound Name: (4R)-4-amino-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl N-[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate
• PubChem CID: 159548961
• Molecular Formula: C83H83Br2F3N14O10
• Molecular Weight: 1653.47 g/mol
• Exact Mass: 1650.47
• IUPAC Name: (4R)-4-amino-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl N-[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate
• SMILES: CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1.C[C@@H](Oc1ccc2ncc(-c3ccc(N4C[C@H](CC(=O)OC(C)(C)C)CC4=O)cc3)n2n1)c1cccc(F)c1.C[C@@H](Oc1ccc2ncc(-c3ccc(N4C[C@H](N)CC4=O)cc3)n2n1)c1cccc(F)c1.C[C@@H](Oc1ccc2ncc(Br)n2n1)c1cccc(F)c1
• InChI: InChI=1S/C30H31FN4O4.C24H22FN5O2.C15H19BrN2O3.C14H11BrFN3O/c1-19(22-6-5-7-23(31)16-22)38-27-13-12-26-32-17-25(35(26)33-27)21-8-10-24(11-9-21)34-18-20(14-28(34)36)15-29(37)39-30(2,3)4;1-15(17-3-2-4-18(25)11-17)32-23-10-9-22-27-13-21(30(22)28-23)16-5-7-20(8-6-16)29-14-19(26)12-24(29)31;1-15(2,3)21-14(20)17-11-8-13(19)18(9-11)12-6-4-10(16)5-7-12;1-9(10-3-2-4-11(16)7-10)20-14-6-5-13-17-8-12(15)19(13)18-14/h5-13,16-17,19-20H,14-15,18H2,1-4H3;2-11,13,15,19H,12,14,26H2,1H3;4-7,11H,8-9H2,1-3H3,(H,17,20);2-9H,1H3/t19-,20+;15-,19-;11-;9-/m1111/s1
• InChIKey: MFDORPLBQVWXAV-WLYOCRDRSA-N
• XLogP: 16.35
• TPSA: 269.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1653.47
LogP ≤ 5	16.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of (4R)-4-amino-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl N-[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate (CID 159548961) is (4R)-4-amino-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl N-[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate.

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

The canonical SMILES for (4R)-4-amino-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl N-[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate is CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1.C[C@@H](Oc1ccc2ncc(-c3ccc(N4C[C@H](CC(=O)OC(C)(C)C)CC4=O)cc3)n2n1)c1cccc(F)c1.C[C@@H](Oc1ccc2ncc(-c3ccc(N4C[C@H](N)CC4=O)cc3)n2n1)c1cccc(F)c1.C[C@@H](Oc1ccc2ncc(Br)n2n1)c1cccc(F)c1.

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

The InChIKey is MFDORPLBQVWXAV-WLYOCRDRSA-N. The full InChI is InChI=1S/C30H31FN4O4.C24H22FN5O2.C15H19BrN2O3.C14H11BrFN3O/c1-19(22-6-5-7-23(31)16-22)38-27-13-12-26-32-17-25(35(26)33-27)21-8-10-24(11-9-21)34-18-20(14-28(34)36)15-29(37)39-30(2,3)4;1-15(17-3-2-4-18(25)11-17)32-23-10-9-22-27-13-21(30(22)28-23)16-5-7-20(8-6-16)29-14-19(26)12-24(29)31;1-15(2,3)21-14(20)17-11-8-13(19)18(9-11)12-6-4-10(16)5-7-12;1-9(10-3-2-4-11(16)7-10)20-14-6-5-13-17-8-12(15)19(13)18-14/h5-13,16-17,19-20H,14-15,18H2,1-4H3;2-11,13,15,19H,12,14,26H2,1H3;4-7,11H,8-9H2,1-3H3,(H,17,20);2-9H,1H3/t19-,20+;15-,19-;11-;9-/m1111/s1.

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

(4R)-4-amino-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl N-[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate has a molecular weight of 1653.47 g/mol, XLogP of 16.35, 17 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-amino-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl N-[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate is sourced from PubChem (CID 159548961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).