3-[3-[7-[1-[1-(3,3-difluorobutanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[6-[1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazin-8-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one

C142H178F8N20O19 — CID 159556915

IUPAC3-[3-[7-[1-[1-(3,3-difluorobutanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[6-[1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazin-8-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
SMILESCOc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(C(=O)C(C)(C)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(C(=O)C(C)(F)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(C(=O)C(C)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(C(=O)CC(C)(F)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(CC(C)(F)F)CC2)n2ccncc12
InChIInChI=1S/C29H36F2N4O4.C29H37FN4O4.C28H34F2N4O4.C28H36F2N4O3.C28H35FN4O4/c1-17-15-24(39-5)21(28(38)33-17)8-9-23(36)26-19(3)27(35-22(26)7-6-12-32-35)18(2)20-10-13-34(14-11-20)25(37)16-29(4,30)31;1-17-16-24(38-6)21(27(36)32-17)9-10-23(35)25-19(3)26(34-22(25)8-7-13-31-34)18(2)20-11-14-33(15-12-20)28(37)29(4,5)30;1-16-15-23(38-5)20(26(36)32-16)8-9-22(35)24-18(3)25(34-21(24)7-6-12-31-34)17(2)19-10-13-33(14-11-19)27(37)28(4,29)30;1-17-14-24(37-5)21(27(36)32-17)6-7-23(35)25-19(3)26(34-13-10-31-15-22(25)34)18(2)20-8-11-33(12-9-20)16-28(4,29)30;1-16-15-24(37-5)21(27(35)31-16)8-9-23(34)25-18(3)26(33-22(25)7-6-12-30-33)17(2)20-10-13-32(14-11-20)28(36)19(4)29/h6-7,12,15,18,20H,8-11,13-14,16H2,1-5H3,(H,33,38);7-8,13,16,18,20H,9-12,14-15H2,1-6H3,(H,32,36);6-7,12,15,17,19H,8-11,13-14H2,1-5H3,(H,32,36);10,13-15,18,20H,6-9,11-12,16H2,1-5H3,(H,32,36);6-7,12,15,17,19-20H,8-11,13-14H2,1-5H3,(H,31,35)
InChIKeyMGCOHDKLIIIDBF-UHFFFAOYSA-N
MW2621.09 g/mol
LogP22.96
Rot. Bonds42

About 3-[3-[7-[1-[1-(3,3-difluorobutanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[6-[1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazin-8-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one

3-[3-[7-[1-[1-(3,3-difluorobutanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[6-[1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazin-8-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one (PubChem CID 159556915) has the molecular formula C142H178F8N20O19 and a molecular weight of 2621.09 g/mol. Its IUPAC name is 3-[3-[7-[1-[1-(3,3-difluorobutanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[6-[1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazin-8-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-[7-[1-[1-(3,3-difluorobutanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[6-[1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazin-8-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
PubChem CID159556915
Molecular FormulaC142H178F8N20O19
Molecular Weight2621.09 g/mol
Exact Mass2619.34
IUPAC Name3-[3-[7-[1-[1-(3,3-difluorobutanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[6-[1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazin-8-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
SMILESCOc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(C(=O)C(C)(C)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(C(=O)C(C)(F)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(C(=O)C(C)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(C(=O)CC(C)(F)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(CC(C)(F)F)CC2)n2ccncc12
InChIInChI=1S/C29H36F2N4O4.C29H37FN4O4.C28H34F2N4O4.C28H36F2N4O3.C28H35FN4O4/c1-17-15-24(39-5)21(28(38)33-17)8-9-23(36)26-19(3)27(35-22(26)7-6-12-32-35)18(2)20-10-13-34(14-11-20)25(37)16-29(4,30)31;1-17-16-24(38-6)21(27(36)32-17)9-10-23(35)25-19(3)26(34-22(25)8-7-13-31-34)18(2)20-11-14-33(15-12-20)28(37)29(4,5)30;1-16-15-23(38-5)20(26(36)32-16)8-9-22(35)24-18(3)25(34-21(24)7-6-12-31-34)17(2)19-10-13-33(14-11-19)27(37)28(4,29)30;1-17-14-24(37-5)21(27(36)32-17)6-7-23(35)25-19(3)26(34-13-10-31-15-22(25)34)18(2)20-8-11-33(12-9-20)16-28(4,29)30;1-16-15-24(37-5)21(27(35)31-16)8-9-23(34)25-18(3)26(33-22(25)7-6-12-30-33)17(2)20-10-13-32(14-11-20)28(36)19(4)29/h6-7,12,15,18,20H,8-11,13-14,16H2,1-5H3,(H,33,38);7-8,13,16,18,20H,9-12,14-15H2,1-6H3,(H,32,36);6-7,12,15,17,19H,8-11,13-14H2,1-5H3,(H,32,36);10,13-15,18,20H,6-9,11-12,16H2,1-5H3,(H,32,36);6-7,12,15,17,19-20H,8-11,13-14H2,1-5H3,(H,31,35)
InChIKeyMGCOHDKLIIIDBF-UHFFFAOYSA-N
XLogP22.96
TPSA466.78 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds42
Heavy Atoms189
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002621.09
LogP ≤ 522.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 3-[3-[7-[1-[1-(3,3-difluorobutanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[6-[1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazin-8-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[7-[1-[1-(3,3-difluorobutanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[6-[1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazin-8-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[3-[7-[1-[1-(3,3-difluorobutanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[6-[1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazin-8-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one (CID 159556915) is 3-[3-[7-[1-[1-(3,3-difluorobutanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[6-[1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazin-8-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-[7-[1-[1-(3,3-difluorobutanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[6-[1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazin-8-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-[7-[1-[1-(3,3-difluorobutanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[6-[1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazin-8-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one is COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(C(=O)C(C)(C)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(C(=O)C(C)(F)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(C(=O)C(C)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(C(=O)CC(C)(F)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(CC(C)(F)F)CC2)n2ccncc12.
What is the InChIKey of 3-[3-[7-[1-[1-(3,3-difluorobutanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[6-[1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazin-8-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
The InChIKey is MGCOHDKLIIIDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F2N4O4.C29H37FN4O4.C28H34F2N4O4.C28H36F2N4O3.C28H35FN4O4/c1-17-15-24(39-5)21(28(38)33-17)8-9-23(36)26-19(3)27(35-22(26)7-6-12-32-35)18(2)20-10-13-34(14-11-20)25(37)16-29(4,30)31;1-17-16-24(38-6)21(27(36)32-17)9-10-23(35)25-19(3)26(34-22(25)8-7-13-31-34)18(2)20-11-14-33(15-12-20)28(37)29(4,5)30;1-16-15-23(38-5)20(26(36)32-16)8-9-22(35)24-18(3)25(34-21(24)7-6-12-31-34)17(2)19-10-13-33(14-11-19)27(37)28(4,29)30;1-17-14-24(37-5)21(27(36)32-17)6-7-23(35)25-19(3)26(34-13-10-31-15-22(25)34)18(2)20-8-11-33(12-9-20)16-28(4,29)30;1-16-15-24(37-5)21(27(35)31-16)8-9-23(34)25-18(3)26(33-22(25)7-6-12-30-33)17(2)20-10-13-32(14-11-20)28(36)19(4)29/h6-7,12,15,18,20H,8-11,13-14,16H2,1-5H3,(H,33,38);7-8,13,16,18,20H,9-12,14-15H2,1-6H3,(H,32,36);6-7,12,15,17,19H,8-11,13-14H2,1-5H3,(H,32,36);10,13-15,18,20H,6-9,11-12,16H2,1-5H3,(H,32,36);6-7,12,15,17,19-20H,8-11,13-14H2,1-5H3,(H,31,35).
What are the key properties of 3-[3-[7-[1-[1-(3,3-difluorobutanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[6-[1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazin-8-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
3-[3-[7-[1-[1-(3,3-difluorobutanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[6-[1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazin-8-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one has a molecular weight of 2621.09 g/mol, XLogP of 22.96, 42 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[7-[1-[1-(3,3-difluorobutanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[6-[1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-7-methylpyrrolo[1,2-a]pyrazin-8-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2-fluoropropanoyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 159556915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).