N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide

C69H85N15O11S3 — CID 157091318

About N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide

N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 157091318) has the molecular formula C69H85N15O11S3 and a molecular weight of 1396.73 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]methanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide
• PubChem CID: 157091318
• Molecular Formula: C69H85N15O11S3
• Molecular Weight: 1396.73 g/mol
• Exact Mass: 1395.57
• IUPAC Name: N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide
• SMILES: COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(=O)(=O)c5ccc(C)cc5)C4)cc(C)nn23)cc1OC.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(C)(=O)=O)C4)cc(C)nn23)cc1C.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(C)(=O)=O)C4)cc(C)nn23)cc1OC
• InChI: InChI=1S/C27H31N5O4S.C21H27N5O4S.C21H27N5O3S/c1-17-6-9-22(10-7-17)37(33,34)30-21-12-13-31(16-21)23-14-18(2)29-32-26(19(3)28-27(23)32)20-8-11-24(35-4)25(15-20)36-5;1-13-10-17(25-9-8-16(12-25)24-31(5,27)28)21-22-14(2)20(26(21)23-13)15-6-7-18(29-3)19(11-15)30-4;1-13-10-16(6-7-19(13)29-4)20-15(3)22-21-18(11-14(2)23-26(20)21)25-9-8-17(12-25)24-30(5,27)28/h6-11,14-15,21,30H,12-13,16H2,1-5H3;6-7,10-11,16,24H,8-9,12H2,1-5H3;6-7,10-11,17,24H,8-9,12H2,1-5H3/t21-;16-;17-/m111/s1
• InChIKey: AERTYWZQYPEUOB-VQWYYLSGSA-N
• XLogP: 8.51
• TPSA: 284.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1396.73
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

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]methanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide?

The IUPAC name of N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide (CID 157091318) is N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide.

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]methanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide?

The canonical SMILES for N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide is COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(=O)(=O)c5ccc(C)cc5)C4)cc(C)nn23)cc1OC.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(C)(=O)=O)C4)cc(C)nn23)cc1C.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(C)(=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]methanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide?

The InChIKey is AERTYWZQYPEUOB-VQWYYLSGSA-N. The full InChI is InChI=1S/C27H31N5O4S.C21H27N5O4S.C21H27N5O3S/c1-17-6-9-22(10-7-17)37(33,34)30-21-12-13-31(16-21)23-14-18(2)29-32-26(19(3)28-27(23)32)20-8-11-24(35-4)25(15-20)36-5;1-13-10-17(25-9-8-16(12-25)24-31(5,27)28)21-22-14(2)20(26(21)23-13)15-6-7-18(29-3)19(11-15)30-4;1-13-10-16(6-7-19(13)29-4)20-15(3)22-21-18(11-14(2)23-26(20)21)25-9-8-17(12-25)24-30(5,27)28/h6-11,14-15,21,30H,12-13,16H2,1-5H3;6-7,10-11,16,24H,8-9,12H2,1-5H3;6-7,10-11,17,24H,8-9,12H2,1-5H3/t21-;16-;17-/m111/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]methanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide?

N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 1396.73 g/mol, XLogP of 8.51, 18 rotatable bonds, 3 hydrogen bond donors, and 23 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]methanesulfonamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 157091318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).