(4S)-4-amino-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[(3R)-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]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;N-methyl-1-pyridin-3-ylmethanamine;pyridine-3-carbaldehyde

C105H116BBr2ClN26O10 — CID 158750249

About (4S)-4-amino-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[(3R)-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]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;N-methyl-1-pyridin-3-ylmethanamine;pyridine-3-carbaldehyde

(4S)-4-amino-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[(3R)-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]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;N-methyl-1-pyridin-3-ylmethanamine;pyridine-3-carbaldehyde (PubChem CID 158750249) has the molecular formula C105H116BBr2ClN26O10 and a molecular weight of 2108.33 g/mol. Its IUPAC name is (4S)-4-amino-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[(3R)-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]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;N-methyl-1-pyridin-3-ylmethanamine;pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: (4S)-4-amino-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[(3R)-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]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;N-methyl-1-pyridin-3-ylmethanamine;pyridine-3-carbaldehyde
• PubChem CID: 158750249
• Molecular Formula: C105H116BBr2ClN26O10
• Molecular Weight: 2108.33 g/mol
• Exact Mass: 2104.75
• IUPAC Name: (4S)-4-amino-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[(3R)-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]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;N-methyl-1-pyridin-3-ylmethanamine;pyridine-3-carbaldehyde
• SMILES: CC(C)(C)OC(=O)N[C@H]1CC(=O)N(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1.CN(Cc1cccnc1)c1ccc2ncc(-c3ccc(N4C[C@@H](CC(=O)OC(C)(C)C)CC4=O)cc3)n2n1.CN(Cc1cccnc1)c1ccc2ncc(-c3ccc(N4C[C@@H](N)CC4=O)cc3)n2n1.CN(Cc1cccnc1)c1ccc2ncc(Br)n2n1.CNCc1cccnc1.Clc1ccc2ncc(Br)n2n1.O=Cc1cccnc1
• InChI: InChI=1S/C29H32N6O3.C23H23N7O.C21H31BN2O5.C13H12BrN5.C7H10N2.C6H3BrClN3.C6H5NO/c1-29(2,3)38-28(37)15-21-14-27(36)34(19-21)23-9-7-22(8-10-23)24-17-31-25-11-12-26(32-35(24)25)33(4)18-20-6-5-13-30-16-20;1-28(14-16-3-2-10-25-12-16)22-9-8-21-26-13-20(30(21)27-22)17-4-6-19(7-5-17)29-15-18(24)11-23(29)31;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;1-18(9-10-3-2-6-15-7-10)13-5-4-12-16-8-11(14)19(12)17-13;1-8-5-7-3-2-4-9-6-7;7-4-3-9-6-2-1-5(8)10-11(4)6;8-5-6-2-1-3-7-4-6/h5-13,16-17,21H,14-15,18-19H2,1-4H3;2-10,12-13,18H,11,14-15,24H2,1H3;8-11,15H,12-13H2,1-7H3,(H,23,26);2-8H,9H2,1H3;2-4,6,8H,5H2,1H3;1-3H;1-5H/t21-;18-;15-;;;;/m100..../s1
• InChIKey: INJQEDHQFQRIJQ-GJJVTYBMSA-N
• XLogP: 15.98
• TPSA: 394.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2108.33
LogP ≤ 5	15.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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-[methyl(pyridin-3-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[(3R)-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]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;N-methyl-1-pyridin-3-ylmethanamine;pyridine-3-carbaldehyde?

The IUPAC name of (4S)-4-amino-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[(3R)-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]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;N-methyl-1-pyridin-3-ylmethanamine;pyridine-3-carbaldehyde (CID 158750249) is (4S)-4-amino-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[(3R)-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]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;N-methyl-1-pyridin-3-ylmethanamine;pyridine-3-carbaldehyde.

What is the SMILES notation for (4S)-4-amino-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[(3R)-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]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;N-methyl-1-pyridin-3-ylmethanamine;pyridine-3-carbaldehyde?

The canonical SMILES for (4S)-4-amino-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[(3R)-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]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;N-methyl-1-pyridin-3-ylmethanamine;pyridine-3-carbaldehyde is CC(C)(C)OC(=O)N[C@H]1CC(=O)N(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1.CN(Cc1cccnc1)c1ccc2ncc(-c3ccc(N4C[C@@H](CC(=O)OC(C)(C)C)CC4=O)cc3)n2n1.CN(Cc1cccnc1)c1ccc2ncc(-c3ccc(N4C[C@@H](N)CC4=O)cc3)n2n1.CN(Cc1cccnc1)c1ccc2ncc(Br)n2n1.CNCc1cccnc1.Clc1ccc2ncc(Br)n2n1.O=Cc1cccnc1.

What is the InChIKey of (4S)-4-amino-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[(3R)-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]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;N-methyl-1-pyridin-3-ylmethanamine;pyridine-3-carbaldehyde?

The InChIKey is INJQEDHQFQRIJQ-GJJVTYBMSA-N. The full InChI is InChI=1S/C29H32N6O3.C23H23N7O.C21H31BN2O5.C13H12BrN5.C7H10N2.C6H3BrClN3.C6H5NO/c1-29(2,3)38-28(37)15-21-14-27(36)34(19-21)23-9-7-22(8-10-23)24-17-31-25-11-12-26(32-35(24)25)33(4)18-20-6-5-13-30-16-20;1-28(14-16-3-2-10-25-12-16)22-9-8-21-26-13-20(30(21)27-22)17-4-6-19(7-5-17)29-15-18(24)11-23(29)31;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;1-18(9-10-3-2-6-15-7-10)13-5-4-12-16-8-11(14)19(12)17-13;1-8-5-7-3-2-4-9-6-7;7-4-3-9-6-2-1-5(8)10-11(4)6;8-5-6-2-1-3-7-4-6/h5-13,16-17,21H,14-15,18-19H2,1-4H3;2-10,12-13,18H,11,14-15,24H2,1H3;8-11,15H,12-13H2,1-7H3,(H,23,26);2-8H,9H2,1H3;2-4,6,8H,5H2,1H3;1-3H;1-5H/t21-;18-;15-;;;;/m100..../s1.

What are the key properties of (4S)-4-amino-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[(3R)-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]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;N-methyl-1-pyridin-3-ylmethanamine;pyridine-3-carbaldehyde?

(4S)-4-amino-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[(3R)-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]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;N-methyl-1-pyridin-3-ylmethanamine;pyridine-3-carbaldehyde has a molecular weight of 2108.33 g/mol, XLogP of 15.98, 21 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-amino-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[(3R)-1-[4-[6-[methyl(pyridin-3-ylmethyl)amino]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;N-methyl-1-pyridin-3-ylmethanamine;pyridine-3-carbaldehyde is sourced from PubChem (CID 158750249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).