4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-chloro-1-methyl-3-(2-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine
C105H91Cl5F2N24O2 — CID 157210654
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-chloro-1-methyl-3-(2-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine
SMILESCC(C)N1CCN(C(=O)Cn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.CN(C)CCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Cc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.Cc1ccccc1-c1nn(C)c2nnc(-c3ccccc3)c(Cl)c12.Cn1nc(-c2ccc(F)cc2)c2c(Cl)c(-c3ccc(F)cc3)nnc21
InChIInChI=1S/C26H27ClN6O.C23H23ClN6O.2C19H15ClN4.C18H11ClF2N4/c1-18(2)31-13-15-32(16-14-31)21(34)17-33-26-22(24(30-33)19-9-5-3-6-10-19)23(27)25(28-29-26)20-11-7-4-8-12-20;1-29(2)14-13-25-18(31)15-30-23-19(21(28-30)16-9-5-3-6-10-16)20(24)22(26-27-23)17-11-7-4-8-12-17;1-12-8-6-7-11-14(12)18-15-16(20)17(13-9-4-3-5-10-13)21-22-19(15)24(2)23-18;1-12-7-6-10-14(11-12)17-15-16(20)18(13-8-4-3-5-9-13)21-22-19(15)24(2)23-17;1-25-18-14(16(24-25)10-2-6-12(20)7-3-10)15(19)17(22-23-18)11-4-8-13(21)9-5-11/h3-12,18H,13-17H2,1-2H3;3-12H,13-15H2,1-2H3,(H,25,31);2*3-11H,1-2H3;2-9H,1H3
InChIKeyARVVVSGMFWSQGH-UHFFFAOYSA-N
MW1936.31 g/mol
LogP21.80
Rot. Bonds18
About 4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-chloro-1-methyl-3-(2-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine
4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-chloro-1-methyl-3-(2-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine (PubChem CID 157210654) has the molecular formula C105H91Cl5F2N24O2 and a molecular weight of 1936.31 g/mol. Its IUPAC name is 4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-chloro-1-methyl-3-(2-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine.
Molecular Properties
| Compound Name | 4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-chloro-1-methyl-3-(2-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine |
|---|---|
| PubChem CID | 157210654 |
| Molecular Formula | C105H91Cl5F2N24O2 |
| Molecular Weight | 1936.31 g/mol |
| Exact Mass | 1932.62 |
| IUPAC Name | 4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-chloro-1-methyl-3-(2-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine |
| SMILES | CC(C)N1CCN(C(=O)Cn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.CN(C)CCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Cc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.Cc1ccccc1-c1nn(C)c2nnc(-c3ccccc3)c(Cl)c12.Cn1nc(-c2ccc(F)cc2)c2c(Cl)c(-c3ccc(F)cc3)nnc21 |
| InChI | InChI=1S/C26H27ClN6O.C23H23ClN6O.2C19H15ClN4.C18H11ClF2N4/c1-18(2)31-13-15-32(16-14-31)21(34)17-33-26-22(24(30-33)19-9-5-3-6-10-19)23(27)25(28-29-26)20-11-7-4-8-12-20;1-29(2)14-13-25-18(31)15-30-23-19(21(28-30)16-9-5-3-6-10-16)20(24)22(26-27-23)17-11-7-4-8-12-17;1-12-8-6-7-11-14(12)18-15-16(20)17(13-9-4-3-5-10-13)21-22-19(15)24(2)23-18;1-12-7-6-10-14(11-12)17-15-16(20)18(13-8-4-3-5-9-13)21-22-19(15)24(2)23-17;1-25-18-14(16(24-25)10-2-6-12(20)7-3-10)15(19)17(22-23-18)11-4-8-13(21)9-5-11/h3-12,18H,13-17H2,1-2H3;3-12H,13-15H2,1-2H3,(H,25,31);2*3-11H,1-2H3;2-9H,1H3 |
| InChIKey | ARVVVSGMFWSQGH-UHFFFAOYSA-N |
| XLogP | 21.80 |
| TPSA | 273.89 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 138 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1936.31 |
| LogP ≤ 5 | 21.80 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 24 |
Frequently Asked Questions
What is the IUPAC name of 4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-chloro-1-methyl-3-(2-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine?
The IUPAC name of 4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-chloro-1-methyl-3-(2-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine (CID 157210654) is 4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-chloro-1-methyl-3-(2-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-chloro-1-methyl-3-(2-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine?
The canonical SMILES for 4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-chloro-1-methyl-3-(2-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine is CC(C)N1CCN(C(=O)Cn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.CN(C)CCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Cc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.Cc1ccccc1-c1nn(C)c2nnc(-c3ccccc3)c(Cl)c12.Cn1nc(-c2ccc(F)cc2)c2c(Cl)c(-c3ccc(F)cc3)nnc21.
What is the InChIKey of 4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-chloro-1-methyl-3-(2-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine?
The InChIKey is ARVVVSGMFWSQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O.C23H23ClN6O.2C19H15ClN4.C18H11ClF2N4/c1-18(2)31-13-15-32(16-14-31)21(34)17-33-26-22(24(30-33)19-9-5-3-6-10-19)23(27)25(28-29-26)20-11-7-4-8-12-20;1-29(2)14-13-25-18(31)15-30-23-19(21(28-30)16-9-5-3-6-10-16)20(24)22(26-27-23)17-11-7-4-8-12-17;1-12-8-6-7-11-14(12)18-15-16(20)17(13-9-4-3-5-10-13)21-22-19(15)24(2)23-18;1-12-7-6-10-14(11-12)17-15-16(20)18(13-8-4-3-5-9-13)21-22-19(15)24(2)23-17;1-25-18-14(16(24-25)10-2-6-12(20)7-3-10)15(19)17(22-23-18)11-4-8-13(21)9-5-11/h3-12,18H,13-17H2,1-2H3;3-12H,13-15H2,1-2H3,(H,25,31);2*3-11H,1-2H3;2-9H,1H3.
What are the key properties of 4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-chloro-1-methyl-3-(2-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine?
4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-chloro-1-methyl-3-(2-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine has a molecular weight of 1936.31 g/mol, XLogP of 21.80, 18 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-chloro-1-methyl-3-(2-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 157210654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157210654 — identifiers, structure, computed properties (public domain)
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