N-[(3R)-1-[3-(3-cyclohexylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-ethylsulfanyl-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(4-methylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide

C97H116N20O8S — CID 158341310

About N-[(3R)-1-[3-(3-cyclohexylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-ethylsulfanyl-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(4-methylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide

N-[(3R)-1-[3-(3-cyclohexylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-ethylsulfanyl-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(4-methylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide (PubChem CID 158341310) has the molecular formula C97H116N20O8S and a molecular weight of 1722.19 g/mol. Its IUPAC name is N-[(3R)-1-[3-(3-cyclohexylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-ethylsulfanyl-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(4-methylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3R)-1-[3-(3-cyclohexylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-ethylsulfanyl-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(4-methylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
• PubChem CID: 158341310
• Molecular Formula: C97H116N20O8S
• Molecular Weight: 1722.19 g/mol
• Exact Mass: 1720.90
• IUPAC Name: N-[(3R)-1-[3-(3-cyclohexylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-ethylsulfanyl-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(4-methylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
• SMILES: CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccc(C)cc4)c(C)nc23)C1.CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4cccc(C5CCCCC5)c4)c(C)nc23)C1.CCSc1cc(N2CC[C@@H](NC(C)=O)C2)c2nc(C)c(-c3ccc(OC)c(OC)c3)n2n1.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(-c4ccccc4)nn23)cc1OC
• InChI: InChI=1S/C27H29N5O3.C26H33N5O.C23H29N5O3S.C21H25N5O/c1-17-26(20-10-11-24(34-3)25(14-20)35-4)32-27(28-17)23(31-13-12-21(16-31)29-18(2)33)15-22(30-32)19-8-6-5-7-9-19;1-17-14-24(30-13-12-23(16-30)28-19(3)32)26-27-18(2)25(31(26)29-17)22-11-7-10-21(15-22)20-8-5-4-6-9-20;1-6-32-21-12-18(27-10-9-17(13-27)25-15(3)29)23-24-14(2)22(28(23)26-21)16-7-8-19(30-4)20(11-16)31-5;1-13-5-7-17(8-6-13)20-15(3)22-21-19(11-14(2)24-26(20)21)25-10-9-18(12-25)23-16(4)27/h5-11,14-15,21H,12-13,16H2,1-4H3,(H,29,33);7,10-11,14-15,20,23H,4-6,8-9,12-13,16H2,1-3H3,(H,28,32);7-8,11-12,17H,6,9-10,13H2,1-5H3,(H,25,29);5-8,11,18H,9-10,12H2,1-4H3,(H,23,27)/t21-;23-;17-;18-/m1111/s1
• InChIKey: GRERJJQSFQQMSN-BUWZOKGNSA-N
• XLogP: 15.46
• TPSA: 287.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1722.19
LogP ≤ 5	15.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[3-(3-cyclohexylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-ethylsulfanyl-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(4-methylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?

The IUPAC name of N-[(3R)-1-[3-(3-cyclohexylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-ethylsulfanyl-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(4-methylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide (CID 158341310) is N-[(3R)-1-[3-(3-cyclohexylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-ethylsulfanyl-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(4-methylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide.

What is the SMILES notation for N-[(3R)-1-[3-(3-cyclohexylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-ethylsulfanyl-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(4-methylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?

The canonical SMILES for N-[(3R)-1-[3-(3-cyclohexylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-ethylsulfanyl-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(4-methylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccc(C)cc4)c(C)nc23)C1.CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4cccc(C5CCCCC5)c4)c(C)nc23)C1.CCSc1cc(N2CC[C@@H](NC(C)=O)C2)c2nc(C)c(-c3ccc(OC)c(OC)c3)n2n1.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(-c4ccccc4)nn23)cc1OC.

What is the InChIKey of N-[(3R)-1-[3-(3-cyclohexylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-ethylsulfanyl-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(4-methylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?

The InChIKey is GRERJJQSFQQMSN-BUWZOKGNSA-N. The full InChI is InChI=1S/C27H29N5O3.C26H33N5O.C23H29N5O3S.C21H25N5O/c1-17-26(20-10-11-24(34-3)25(14-20)35-4)32-27(28-17)23(31-13-12-21(16-31)29-18(2)33)15-22(30-32)19-8-6-5-7-9-19;1-17-14-24(30-13-12-23(16-30)28-19(3)32)26-27-18(2)25(31(26)29-17)22-11-7-10-21(15-22)20-8-5-4-6-9-20;1-6-32-21-12-18(27-10-9-17(13-27)25-15(3)29)23-24-14(2)22(28(23)26-21)16-7-8-19(30-4)20(11-16)31-5;1-13-5-7-17(8-6-13)20-15(3)22-21-19(11-14(2)24-26(20)21)25-10-9-18(12-25)23-16(4)27/h5-11,14-15,21H,12-13,16H2,1-4H3,(H,29,33);7,10-11,14-15,20,23H,4-6,8-9,12-13,16H2,1-3H3,(H,28,32);7-8,11-12,17H,6,9-10,13H2,1-5H3,(H,25,29);5-8,11,18H,9-10,12H2,1-4H3,(H,23,27)/t21-;23-;17-;18-/m1111/s1.

What are the key properties of N-[(3R)-1-[3-(3-cyclohexylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-ethylsulfanyl-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(4-methylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?

N-[(3R)-1-[3-(3-cyclohexylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-ethylsulfanyl-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(4-methylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 1722.19 g/mol, XLogP of 15.46, 20 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-[3-(3-cyclohexylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-ethylsulfanyl-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(4-methylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 158341310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).