N-[(3R)-1-[2,6-dimethyl-3-(4-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-[3-(dimethylsulfamoyl)phenyl]-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;methyl 4-[8-[(3R)-3-acetamidopyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoate

C131H158FN31O14S2 — CID 158788431

IUPACN-[(3R)-1-[2,6-dimethyl-3-(4-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-[3-(dimethylsulfamoyl)phenyl]-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;methyl 4-[8-[(3R)-3-acetamidopyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoate
SMILESCC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccc(F)cc4)c(C)nc23)C1.CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4cccc(S(=O)(=O)N(C)C)c4)c(C)nc23)C1.COC(=O)c1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc1C.COc1cc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc(OC)c1OC.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc1C.CSc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc1
InChIInChI=1S/C23H29N5O4.C23H27N5O3.C22H28N6O3S.C22H27N5O2.C21H25N5OS.C20H22FN5O/c1-13-9-18(27-8-7-17(12-27)25-15(3)29)23-24-14(2)21(28(23)26-13)16-10-19(30-4)22(32-6)20(11-16)31-5;1-13-10-17(6-7-19(13)23(30)31-5)21-15(3)24-22-20(11-14(2)26-28(21)22)27-9-8-18(12-27)25-16(4)29;1-14-11-20(27-10-9-18(13-27)24-16(3)29)22-23-15(2)21(28(22)25-14)17-7-6-8-19(12-17)32(30,31)26(4)5;1-13-10-17(6-7-20(13)29-5)21-15(3)23-22-19(11-14(2)25-27(21)22)26-9-8-18(12-26)24-16(4)28;1-13-11-19(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;1-12-10-18(25-9-8-17(11-25)23-14(3)27)20-22-13(2)19(26(20)24-12)15-4-6-16(21)7-5-15/h9-11,17H,7-8,12H2,1-6H3,(H,25,29);6-7,10-11,18H,8-9,12H2,1-5H3,(H,25,29);6-8,11-12,18H,9-10,13H2,1-5H3,(H,24,29);6-7,10-11,18H,8-9,12H2,1-5H3,(H,24,28);5-8,11,17H,9-10,12H2,1-4H3,(H,23,27);4-7,10,17H,8-9,11H2,1-3H3,(H,23,27)/t17-;3*18-;2*17-/m111111/s1
InChIKeyIRYWQOZNVGNWQV-RTXPBRHLSA-N
MW2474.04 g/mol
LogP16.92
Rot. Bonds26

About N-[(3R)-1-[2,6-dimethyl-3-(4-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-[3-(dimethylsulfamoyl)phenyl]-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;methyl 4-[8-[(3R)-3-acetamidopyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoate

N-[(3R)-1-[2,6-dimethyl-3-(4-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-[3-(dimethylsulfamoyl)phenyl]-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;methyl 4-[8-[(3R)-3-acetamidopyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoate (PubChem CID 158788431) has the molecular formula C131H158FN31O14S2 and a molecular weight of 2474.04 g/mol. Its IUPAC name is N-[(3R)-1-[2,6-dimethyl-3-(4-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-[3-(dimethylsulfamoyl)phenyl]-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;methyl 4-[8-[(3R)-3-acetamidopyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoate.

Molecular Properties

Compound NameN-[(3R)-1-[2,6-dimethyl-3-(4-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-[3-(dimethylsulfamoyl)phenyl]-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;methyl 4-[8-[(3R)-3-acetamidopyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoate
PubChem CID158788431
Molecular FormulaC131H158FN31O14S2
Molecular Weight2474.04 g/mol
Exact Mass2472.20
IUPAC NameN-[(3R)-1-[2,6-dimethyl-3-(4-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-[3-(dimethylsulfamoyl)phenyl]-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;methyl 4-[8-[(3R)-3-acetamidopyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoate
SMILESCC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccc(F)cc4)c(C)nc23)C1.CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4cccc(S(=O)(=O)N(C)C)c4)c(C)nc23)C1.COC(=O)c1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc1C.COc1cc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc(OC)c1OC.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc1C.CSc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc1
InChIInChI=1S/C23H29N5O4.C23H27N5O3.C22H28N6O3S.C22H27N5O2.C21H25N5OS.C20H22FN5O/c1-13-9-18(27-8-7-17(12-27)25-15(3)29)23-24-14(2)21(28(23)26-13)16-10-19(30-4)22(32-6)20(11-16)31-5;1-13-10-17(6-7-19(13)23(30)31-5)21-15(3)24-22-20(11-14(2)26-28(21)22)27-9-8-18(12-27)25-16(4)29;1-14-11-20(27-10-9-18(13-27)24-16(3)29)22-23-15(2)21(28(22)25-14)17-7-6-8-19(12-17)32(30,31)26(4)5;1-13-10-17(6-7-20(13)29-5)21-15(3)23-22-19(11-14(2)25-27(21)22)26-9-8-18(12-26)24-16(4)28;1-13-11-19(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;1-12-10-18(25-9-8-17(11-25)23-14(3)27)20-22-13(2)19(26(20)24-12)15-4-6-16(21)7-5-15/h9-11,17H,7-8,12H2,1-6H3,(H,25,29);6-7,10-11,18H,8-9,12H2,1-5H3,(H,25,29);6-8,11-12,18H,9-10,13H2,1-5H3,(H,24,29);6-7,10-11,18H,8-9,12H2,1-5H3,(H,24,28);5-8,11,17H,9-10,12H2,1-4H3,(H,23,27);4-7,10,17H,8-9,11H2,1-3H3,(H,23,27)/t17-;3*18-;2*17-/m111111/s1
InChIKeyIRYWQOZNVGNWQV-RTXPBRHLSA-N
XLogP16.92
TPSA475.78 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds26
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002474.04
LogP ≤ 516.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Analyze N-[(3R)-1-[2,6-dimethyl-3-(4-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-[3-(dimethylsulfamoyl)phenyl]-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;methyl 4-[8-[(3R)-3-acetamidopyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoate with MolForge

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Related Compounds

3-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;[2,3-dimethoxy-5-[3-[3-(methylsulfonylmethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol;4-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[2-(dimethylamino)ethyl]-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide;[2-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]methanol
CID 157231805
3-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;[2,3-dimethoxy-5-[3-[3-(methylsulfonylmethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol;4-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[2-(dimethylamino)ethyl]-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide;[2-(hydroxymethyl)-3-methoxy-5-[4-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methanol;[2-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]methanol
CID 160261155
N-[(3R)-1-[2,6-dimethyl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;methyl 4-[8-[(3R)-3-acetamidopyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoate
CID 159571383
N-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide;4-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 159879665
1-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-3-propan-2-ylurea;N-[(3R)-1-[2,6-dimethyl-3-(4-methylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
CID 160829675

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2,6-dimethyl-3-(4-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-[3-(dimethylsulfamoyl)phenyl]-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;methyl 4-[8-[(3R)-3-acetamidopyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoate?
The IUPAC name of N-[(3R)-1-[2,6-dimethyl-3-(4-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-[3-(dimethylsulfamoyl)phenyl]-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;methyl 4-[8-[(3R)-3-acetamidopyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoate (CID 158788431) is N-[(3R)-1-[2,6-dimethyl-3-(4-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-[3-(dimethylsulfamoyl)phenyl]-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;methyl 4-[8-[(3R)-3-acetamidopyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoate.
What is the SMILES notation for N-[(3R)-1-[2,6-dimethyl-3-(4-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-[3-(dimethylsulfamoyl)phenyl]-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;methyl 4-[8-[(3R)-3-acetamidopyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoate?
The canonical SMILES for N-[(3R)-1-[2,6-dimethyl-3-(4-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-[3-(dimethylsulfamoyl)phenyl]-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;methyl 4-[8-[(3R)-3-acetamidopyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoate is CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccc(F)cc4)c(C)nc23)C1.CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4cccc(S(=O)(=O)N(C)C)c4)c(C)nc23)C1.COC(=O)c1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc1C.COc1cc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc(OC)c1OC.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc1C.CSc1ccc(-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-(4-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-[3-(dimethylsulfamoyl)phenyl]-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;methyl 4-[8-[(3R)-3-acetamidopyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoate?
The InChIKey is IRYWQOZNVGNWQV-RTXPBRHLSA-N. The full InChI is InChI=1S/C23H29N5O4.C23H27N5O3.C22H28N6O3S.C22H27N5O2.C21H25N5OS.C20H22FN5O/c1-13-9-18(27-8-7-17(12-27)25-15(3)29)23-24-14(2)21(28(23)26-13)16-10-19(30-4)22(32-6)20(11-16)31-5;1-13-10-17(6-7-19(13)23(30)31-5)21-15(3)24-22-20(11-14(2)26-28(21)22)27-9-8-18(12-27)25-16(4)29;1-14-11-20(27-10-9-18(13-27)24-16(3)29)22-23-15(2)21(28(22)25-14)17-7-6-8-19(12-17)32(30,31)26(4)5;1-13-10-17(6-7-20(13)29-5)21-15(3)23-22-19(11-14(2)25-27(21)22)26-9-8-18(12-26)24-16(4)28;1-13-11-19(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;1-12-10-18(25-9-8-17(11-25)23-14(3)27)20-22-13(2)19(26(20)24-12)15-4-6-16(21)7-5-15/h9-11,17H,7-8,12H2,1-6H3,(H,25,29);6-7,10-11,18H,8-9,12H2,1-5H3,(H,25,29);6-8,11-12,18H,9-10,13H2,1-5H3,(H,24,29);6-7,10-11,18H,8-9,12H2,1-5H3,(H,24,28);5-8,11,17H,9-10,12H2,1-4H3,(H,23,27);4-7,10,17H,8-9,11H2,1-3H3,(H,23,27)/t17-;3*18-;2*17-/m111111/s1.
What are the key properties of N-[(3R)-1-[2,6-dimethyl-3-(4-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-[3-(dimethylsulfamoyl)phenyl]-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;methyl 4-[8-[(3R)-3-acetamidopyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoate?
N-[(3R)-1-[2,6-dimethyl-3-(4-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-[3-(dimethylsulfamoyl)phenyl]-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;methyl 4-[8-[(3R)-3-acetamidopyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoate has a molecular weight of 2474.04 g/mol, XLogP of 16.92, 26 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2,6-dimethyl-3-(4-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-[3-(dimethylsulfamoyl)phenyl]-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(4-methoxy-3-methylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;methyl 4-[8-[(3R)-3-acetamidopyrrolidin-1-yl]-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoate is sourced from PubChem (CID 158788431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).