N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide

C74H87N21O6S2 — CID 160725695

About N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide

N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide (PubChem CID 160725695) has the molecular formula C74H87N21O6S2 and a molecular weight of 1430.78 g/mol. Its IUPAC name is N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
• PubChem CID: 160725695
• Molecular Formula: C74H87N21O6S2
• Molecular Weight: 1430.78 g/mol
• Exact Mass: 1429.66
• IUPAC Name: N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
• SMILES: CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccco4)c(C)nc23)C1.CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4cccs4)c(C)nc23)C1.CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4nccs4)c(C)nc23)C1.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc1
• InChI: InChI=1S/C21H25N5O2.C18H21N5O2.C18H21N5OS.C17H20N6OS/c1-13-11-19(25-10-9-17(12-25)23-15(3)27)21-22-14(2)20(26(21)24-13)16-5-7-18(28-4)8-6-16;2*1-11-9-15(22-7-6-14(10-22)20-13(3)24)18-19-12(2)17(23(18)21-11)16-5-4-8-25-16;1-10-8-14(22-6-4-13(9-22)20-12(3)24)16-19-11(2)15(23(16)21-10)17-18-5-7-25-17/h5-8,11,17H,9-10,12H2,1-4H3,(H,23,27);2*4-5,8-9,14H,6-7,10H2,1-3H3,(H,20,24);5,7-8,13H,4,6,9H2,1-3H3,(H,20,24)/t17-;2*14-;13-/m1111/s1
• InChIKey: RTRIPVYTOCIPLC-FNZNMXRGSA-N
• XLogP: 10.03
• TPSA: 285.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1430.78
LogP ≤ 5	10.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?

The IUPAC name of N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide (CID 160725695) is N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide.

What is the SMILES notation for N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?

The canonical SMILES for N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccco4)c(C)nc23)C1.CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4cccs4)c(C)nc23)C1.CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4nccs4)c(C)nc23)C1.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc1.

What is the InChIKey of N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?

The InChIKey is RTRIPVYTOCIPLC-FNZNMXRGSA-N. The full InChI is InChI=1S/C21H25N5O2.C18H21N5O2.C18H21N5OS.C17H20N6OS/c1-13-11-19(25-10-9-17(12-25)23-15(3)27)21-22-14(2)20(26(21)24-13)16-5-7-18(28-4)8-6-16;2*1-11-9-15(22-7-6-14(10-22)20-13(3)24)18-19-12(2)17(23(18)21-11)16-5-4-8-25-16;1-10-8-14(22-6-4-13(9-22)20-12(3)24)16-19-11(2)15(23(16)21-10)17-18-5-7-25-17/h5-8,11,17H,9-10,12H2,1-4H3,(H,23,27);2*4-5,8-9,14H,6-7,10H2,1-3H3,(H,20,24);5,7-8,13H,4,6,9H2,1-3H3,(H,20,24)/t17-;2*14-;13-/m1111/s1.

What are the key properties of N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?

N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 1430.78 g/mol, XLogP of 10.03, 13 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-(2,6-dimethyl-3-thiophen-2-ylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 160725695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).