3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropyl)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-fluoro-2-methylpropyl)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-fluoropropyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one

C143H190Cl2F4N20O14 — CID 162130458

IUPAC3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropyl)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-fluoro-2-methylpropyl)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-fluoropropyl)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(CC(C)(C)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(CC(C)(F)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(CC(C)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(Cl)c(C(C)C2CCN(CC(C)(C)C)CC2)n2ncccc12.Cc1cc(C)c(CCC(=O)c2c(Cl)c(C(C)C3CCN(CC(C)(C)C)CC3)n3ncccc23)c(=O)[nH]1
InChIInChI=1S/C29H39ClN4O3.C29H39ClN4O2.C29H39FN4O3.C28H36F2N4O3.C28H37FN4O3/c1-18-16-24(37-6)21(28(36)32-18)9-10-23(35)25-22-8-7-13-31-34(22)27(26(25)30)19(2)20-11-14-33(15-12-20)17-29(3,4)5;1-18-16-19(2)32-28(36)22(18)9-10-24(35)25-23-8-7-13-31-34(23)27(26(25)30)20(3)21-11-14-33(15-12-21)17-29(4,5)6;1-18-16-25(37-6)22(28(36)32-18)9-10-24(35)26-20(3)27(34-23(26)8-7-13-31-34)19(2)21-11-14-33(15-12-21)17-29(4,5)30;1-17-15-24(37-5)21(27(36)32-17)8-9-23(35)25-19(3)26(34-22(25)7-6-12-31-34)18(2)20-10-13-33(14-11-20)16-28(4,29)30;1-17(29)16-32-13-10-21(11-14-32)19(3)27-20(4)26(23-7-6-12-30-33(23)27)24(34)9-8-22-25(36-5)15-18(2)31-28(22)35/h7-8,13,16,19-20H,9-12,14-15,17H2,1-6H3,(H,32,36);7-8,13,16,20-21H,9-12,14-15,17H2,1-6H3,(H,32,36);7-8,13,16,19,21H,9-12,14-15,17H2,1-6H3,(H,32,36);6-7,12,15,18,20H,8-11,13-14,16H2,1-5H3,(H,32,36);6-7,12,15,17,19,21H,8-11,13-14,16H2,1-5H3,(H,31,35)
InChIKeyZIPBPKZPYPOMAW-UHFFFAOYSA-N
MW2560.12 g/mol
LogP26.24
Rot. Bonds42

About 3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropyl)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-fluoro-2-methylpropyl)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-fluoropropyl)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-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropyl)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-fluoro-2-methylpropyl)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-fluoropropyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one (PubChem CID 162130458) has the molecular formula C143H190Cl2F4N20O14 and a molecular weight of 2560.12 g/mol. Its IUPAC name is 3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropyl)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-fluoro-2-methylpropyl)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-fluoropropyl)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-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropyl)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-fluoro-2-methylpropyl)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-fluoropropyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
PubChem CID162130458
Molecular FormulaC143H190Cl2F4N20O14
Molecular Weight2560.12 g/mol
Exact Mass2557.41
IUPAC Name3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropyl)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-fluoro-2-methylpropyl)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-fluoropropyl)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(CC(C)(C)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(CC(C)(F)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(CC(C)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(Cl)c(C(C)C2CCN(CC(C)(C)C)CC2)n2ncccc12.Cc1cc(C)c(CCC(=O)c2c(Cl)c(C(C)C3CCN(CC(C)(C)C)CC3)n3ncccc23)c(=O)[nH]1
InChIInChI=1S/C29H39ClN4O3.C29H39ClN4O2.C29H39FN4O3.C28H36F2N4O3.C28H37FN4O3/c1-18-16-24(37-6)21(28(36)32-18)9-10-23(35)25-22-8-7-13-31-34(22)27(26(25)30)19(2)20-11-14-33(15-12-20)17-29(3,4)5;1-18-16-19(2)32-28(36)22(18)9-10-24(35)25-23-8-7-13-31-34(23)27(26(25)30)20(3)21-11-14-33(15-12-21)17-29(4,5)6;1-18-16-25(37-6)22(28(36)32-18)9-10-24(35)26-20(3)27(34-23(26)8-7-13-31-34)19(2)21-11-14-33(15-12-21)17-29(4,5)30;1-17-15-24(37-5)21(27(36)32-17)8-9-23(35)25-19(3)26(34-22(25)7-6-12-31-34)18(2)20-10-13-33(14-11-20)16-28(4,29)30;1-17(29)16-32-13-10-21(11-14-32)19(3)27-20(4)26(23-7-6-12-30-33(23)27)24(34)9-8-22-25(36-5)15-18(2)31-28(22)35/h7-8,13,16,19-20H,9-12,14-15,17H2,1-6H3,(H,32,36);7-8,13,16,20-21H,9-12,14-15,17H2,1-6H3,(H,32,36);7-8,13,16,19,21H,9-12,14-15,17H2,1-6H3,(H,32,36);6-7,12,15,18,20H,8-11,13-14,16H2,1-5H3,(H,32,36);6-7,12,15,17,19,21H,8-11,13-14,16H2,1-5H3,(H,31,35)
InChIKeyZIPBPKZPYPOMAW-UHFFFAOYSA-N
XLogP26.24
TPSA389.27 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds42
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002560.12
LogP ≤ 526.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze 3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropyl)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-fluoro-2-methylpropyl)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-fluoropropyl)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-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropyl)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-fluoro-2-methylpropyl)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-fluoropropyl)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-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropyl)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-fluoro-2-methylpropyl)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-fluoropropyl)piperidin-4-yl]ethyl]-6-methylpyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one (CID 162130458) is 3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropyl)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-fluoro-2-methylpropyl)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-fluoropropyl)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-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropyl)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-fluoro-2-methylpropyl)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-fluoropropyl)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-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropyl)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-fluoro-2-methylpropyl)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-fluoropropyl)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(CC(C)(C)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(CC(C)(F)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(C(C)C2CCN(CC(C)F)CC2)n2ncccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(Cl)c(C(C)C2CCN(CC(C)(C)C)CC2)n2ncccc12.Cc1cc(C)c(CCC(=O)c2c(Cl)c(C(C)C3CCN(CC(C)(C)C)CC3)n3ncccc23)c(=O)[nH]1.
What is the InChIKey of 3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropyl)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-fluoro-2-methylpropyl)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-fluoropropyl)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 ZIPBPKZPYPOMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39ClN4O3.C29H39ClN4O2.C29H39FN4O3.C28H36F2N4O3.C28H37FN4O3/c1-18-16-24(37-6)21(28(36)32-18)9-10-23(35)25-22-8-7-13-31-34(22)27(26(25)30)19(2)20-11-14-33(15-12-20)17-29(3,4)5;1-18-16-19(2)32-28(36)22(18)9-10-24(35)25-23-8-7-13-31-34(23)27(26(25)30)20(3)21-11-14-33(15-12-21)17-29(4,5)6;1-18-16-25(37-6)22(28(36)32-18)9-10-24(35)26-20(3)27(34-23(26)8-7-13-31-34)19(2)21-11-14-33(15-12-21)17-29(4,5)30;1-17-15-24(37-5)21(27(36)32-17)8-9-23(35)25-19(3)26(34-22(25)7-6-12-31-34)18(2)20-10-13-33(14-11-20)16-28(4,29)30;1-17(29)16-32-13-10-21(11-14-32)19(3)27-20(4)26(23-7-6-12-30-33(23)27)24(34)9-8-22-25(36-5)15-18(2)31-28(22)35/h7-8,13,16,19-20H,9-12,14-15,17H2,1-6H3,(H,32,36);7-8,13,16,20-21H,9-12,14-15,17H2,1-6H3,(H,32,36);7-8,13,16,19,21H,9-12,14-15,17H2,1-6H3,(H,32,36);6-7,12,15,18,20H,8-11,13-14,16H2,1-5H3,(H,32,36);6-7,12,15,17,19,21H,8-11,13-14,16H2,1-5H3,(H,31,35).
What are the key properties of 3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropyl)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-fluoro-2-methylpropyl)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-fluoropropyl)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-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropyl)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-fluoro-2-methylpropyl)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-fluoropropyl)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 2560.12 g/mol, XLogP of 26.24, 42 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-chloro-7-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[7-[1-[1-(2,2-difluoropropyl)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-fluoro-2-methylpropyl)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-fluoropropyl)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 162130458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).