N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]cyclopropanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-prop-1-en-2-ylbenzenesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide;3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-[(3R)-3-(sulfamoylamino)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine

C96H115N21O16S5 — CID 159682255

About N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]cyclopropanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-prop-1-en-2-ylbenzenesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide;3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-[(3R)-3-(sulfamoylamino)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine

N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]cyclopropanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-prop-1-en-2-ylbenzenesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide;3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-[(3R)-3-(sulfamoylamino)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 159682255) has the molecular formula C96H115N21O16S5 and a molecular weight of 1979.44 g/mol. Its IUPAC name is N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]cyclopropanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-prop-1-en-2-ylbenzenesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide;3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-[(3R)-3-(sulfamoylamino)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]cyclopropanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-prop-1-en-2-ylbenzenesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide;3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-[(3R)-3-(sulfamoylamino)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
• PubChem CID: 159682255
• Molecular Formula: C96H115N21O16S5
• Molecular Weight: 1979.44 g/mol
• Exact Mass: 1977.74
• IUPAC Name: N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]cyclopropanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-prop-1-en-2-ylbenzenesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide;3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-[(3R)-3-(sulfamoylamino)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
• SMILES: C=C(C)c1ccc(S(=O)(=O)N[C@@H]2CCN(c3cc(C)nn4c(-c5ccc(OC)c(OC)c5)c(C)nc34)C2)cc1.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(=O)(=O)C5CC5)C4)cc(C)nn23)cc1OC.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(=O)(=O)c5cccs5)C4)cc(C)nn23)cc1OC.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(N)(=O)=O)C4)cc(C)nn23)cc1OC
• InChI: InChI=1S/C29H33N5O4S.C24H27N5O4S2.C23H29N5O4S.C20H26N6O4S/c1-18(2)21-7-10-24(11-8-21)39(35,36)32-23-13-14-33(17-23)25-15-19(3)31-34-28(20(4)30-29(25)34)22-9-12-26(37-5)27(16-22)38-6;1-15-12-19(28-10-9-18(14-28)27-35(30,31)22-6-5-11-34-22)24-25-16(2)23(29(24)26-15)17-7-8-20(32-3)21(13-17)33-4;1-14-11-19(27-10-9-17(13-27)26-33(29,30)18-6-7-18)23-24-15(2)22(28(23)25-14)16-5-8-20(31-3)21(12-16)32-4;1-12-9-16(25-8-7-15(11-25)24-31(21,27)28)20-22-13(2)19(26(20)23-12)14-5-6-17(29-3)18(10-14)30-4/h7-12,15-16,23,32H,1,13-14,17H2,2-6H3;5-8,11-13,18,27H,9-10,14H2,1-4H3;5,8,11-12,17-18,26H,6-7,9-10,13H2,1-4H3;5-6,9-10,15,24H,7-8,11H2,1-4H3,(H2,21,27,28)/t23-;18-;17-;15-/m1111/s1
• InChIKey: MVIRUDRDZNQPMZ-VFIPWPBRSA-N
• XLogP: 12.36
• TPSA: 418.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1979.44
LogP ≤ 5	12.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]cyclopropanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-prop-1-en-2-ylbenzenesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide;3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-[(3R)-3-(sulfamoylamino)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?

The IUPAC name of N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]cyclopropanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-prop-1-en-2-ylbenzenesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide;3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-[(3R)-3-(sulfamoylamino)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine (CID 159682255) is N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]cyclopropanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-prop-1-en-2-ylbenzenesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide;3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-[(3R)-3-(sulfamoylamino)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine.

What is the SMILES notation for N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]cyclopropanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-prop-1-en-2-ylbenzenesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide;3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-[(3R)-3-(sulfamoylamino)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?

The canonical SMILES for N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]cyclopropanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-prop-1-en-2-ylbenzenesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide;3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-[(3R)-3-(sulfamoylamino)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine is C=C(C)c1ccc(S(=O)(=O)N[C@@H]2CCN(c3cc(C)nn4c(-c5ccc(OC)c(OC)c5)c(C)nc34)C2)cc1.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(=O)(=O)C5CC5)C4)cc(C)nn23)cc1OC.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(=O)(=O)c5cccs5)C4)cc(C)nn23)cc1OC.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(N)(=O)=O)C4)cc(C)nn23)cc1OC.

What is the InChIKey of N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]cyclopropanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-prop-1-en-2-ylbenzenesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide;3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-[(3R)-3-(sulfamoylamino)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?

The InChIKey is MVIRUDRDZNQPMZ-VFIPWPBRSA-N. The full InChI is InChI=1S/C29H33N5O4S.C24H27N5O4S2.C23H29N5O4S.C20H26N6O4S/c1-18(2)21-7-10-24(11-8-21)39(35,36)32-23-13-14-33(17-23)25-15-19(3)31-34-28(20(4)30-29(25)34)22-9-12-26(37-5)27(16-22)38-6;1-15-12-19(28-10-9-18(14-28)27-35(30,31)22-6-5-11-34-22)24-25-16(2)23(29(24)26-15)17-7-8-20(32-3)21(13-17)33-4;1-14-11-19(27-10-9-17(13-27)26-33(29,30)18-6-7-18)23-24-15(2)22(28(23)25-14)16-5-8-20(31-3)21(12-16)32-4;1-12-9-16(25-8-7-15(11-25)24-31(21,27)28)20-22-13(2)19(26(20)23-12)14-5-6-17(29-3)18(10-14)30-4/h7-12,15-16,23,32H,1,13-14,17H2,2-6H3;5-8,11-13,18,27H,9-10,14H2,1-4H3;5,8,11-12,17-18,26H,6-7,9-10,13H2,1-4H3;5-6,9-10,15,24H,7-8,11H2,1-4H3,(H2,21,27,28)/t23-;18-;17-;15-/m1111/s1.

What are the key properties of N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]cyclopropanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-prop-1-en-2-ylbenzenesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide;3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-[(3R)-3-(sulfamoylamino)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?

N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]cyclopropanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-prop-1-en-2-ylbenzenesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide;3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-[(3R)-3-(sulfamoylamino)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 1979.44 g/mol, XLogP of 12.36, 28 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]cyclopropanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-prop-1-en-2-ylbenzenesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide;3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-[(3R)-3-(sulfamoylamino)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 159682255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).