N-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide;1,1-dimethyl-3-[6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonyl-2-pyridinyl]urea;1-[5-ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-2-pyridinyl]-1,3-dimethylurea;3-[5-ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-2-pyridinyl]-1,1-dimethylurea;1-[5-ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-2-pyridinyl]-3-methylurea;1-methyl-3-[6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonyl-2-pyridinyl]urea
C104H97F30N41O18S6 — CID 157191621
Data last refreshed: (MolForge compound catalog, from PubChem)
About N-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide;1,1-dimethyl-3-[6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonyl-2-pyridinyl]urea;1-[5-ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-2-pyridinyl]-1,3-dimethylurea;3-[5-ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-2-pyridinyl]-1,1-dimethylurea;1-[5-ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-2-pyridinyl]-3-methylurea;1-methyl-3-[6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonyl-2-pyridinyl]urea
N-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide;1,1-dimethyl-3-[6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonyl-2-pyridinyl]urea;1-[5-ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-2-pyridinyl]-1,3-dimethylurea;3-[5-ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-2-pyridinyl]-1,1-dimethylurea;1-[5-ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-2-pyridinyl]-3-methylurea;1-methyl-3-[6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonyl-2-pyridinyl]urea (PubChem CID 157191621) has the molecular formula C104H97F30N41O18S6 and a molecular weight of 2971.53 g/mol. Its IUPAC name is N-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide;1,1-dimethyl-3-[6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonyl-2-pyridinyl]urea;1-[5-ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-2-pyridinyl]-1,3-dimethylurea;3-[5-ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-2-pyridinyl]-1,1-dimethylurea;1-[5-ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-2-pyridinyl]-3-methylurea;1-methyl-3-[6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonyl-2-pyridinyl]urea.
Molecular Properties
| Compound Name | N-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide;1,1-dimethyl-3-[6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonyl-2-pyridinyl]urea;1-[5-ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-2-pyridinyl]-1,3-dimethylurea;3-[5-ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-2-pyridinyl]-1,1-dimethylurea;1-[5-ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-2-pyridinyl]-3-methylurea;1-methyl-3-[6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonyl-2-pyridinyl]urea |
|---|---|
| PubChem CID | 157191621 |
| Molecular Formula | C104H97F30N41O18S6 |
| Molecular Weight | 2971.53 g/mol |
| Exact Mass | 2969.58 |
| IUPAC Name | N-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide;1,1-dimethyl-3-[6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonyl-2-pyridinyl]urea;1-[5-ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-2-pyridinyl]-1,3-dimethylurea;3-[5-ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-2-pyridinyl]-1,1-dimethylurea;1-[5-ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-2-pyridinyl]-3-methylurea;1-methyl-3-[6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonyl-2-pyridinyl]urea |
| SMILES | CCS(=O)(=O)c1ccc(N(C)C(=O)NC)nc1-c1nc2cc(C(F)(F)C(F)(F)F)nnc2n1C.CCS(=O)(=O)c1ccc(NC(=O)N(C)C)nc1-c1nc2cc(C(F)(F)C(F)(F)F)nnc2n1C.CCS(=O)(=O)c1ccc(NC(=O)NC)nc1-c1nc2cc(C(F)(F)C(F)(F)F)nnc2n1C.CN(C)C(=O)Nc1ccc(S(C)(=O)=O)c(-c2nc3cc(C(F)(F)C(F)(F)F)nnc3n2C)n1.CNC(=O)Nc1ccc(S(C)(=O)=O)c(-c2nc3cc(C(F)(F)C(F)(F)F)nnc3n2C)n1.Cn1c(-c2nc(C(=O)NC3CC3)ccc2S(C)(=O)=O)nc2cc(C(F)(F)C(F)(F)F)nnc21 |
| InChI | InChI=1S/2C18H18F5N7O3S.C18H15F5N6O3S.2C17H16F5N7O3S.C16H14F5N7O3S/c1-5-34(32,33)10-6-7-12(26-16(31)29(2)3)25-13(10)15-24-9-8-11(17(19,20)18(21,22)23)27-28-14(9)30(15)4;1-5-34(32,33)10-6-7-12(29(3)16(31)24-2)26-13(10)15-25-9-8-11(17(19,20)18(21,22)23)27-28-14(9)30(15)4;1-29-14-10(7-12(27-28-14)17(19,20)18(21,22)23)26-15(29)13-11(33(2,31)32)6-5-9(25-13)16(30)24-8-3-4-8;1-28(2)15(30)25-11-6-5-9(33(4,31)32)12(24-11)14-23-8-7-10(16(18,19)17(20,21)22)26-27-13(8)29(14)3;1-4-33(31,32)9-5-6-11(26-15(30)23-2)25-12(9)14-24-8-7-10(16(18,19)17(20,21)22)27-28-13(8)29(14)3;1-22-14(29)25-10-5-4-8(32(3,30)31)11(24-10)13-23-7-6-9(15(17,18)16(19,20)21)26-27-12(7)28(13)2/h6-8H,5H2,1-4H3,(H,25,26,31);6-8H,5H2,1-4H3,(H,24,31);5-8H,3-4H2,1-2H3,(H,24,30);5-7H,1-4H3,(H,24,25,30);5-7H,4H2,1-3H3,(H2,23,25,26,30);4-6H,1-3H3,(H2,22,24,25,29) |
| InChIKey | APTMRUJPFHBIRM-UHFFFAOYSA-N |
| XLogP | 15.43 |
| TPSA | 752.16 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 199 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2971.53 |
| LogP ≤ 5 | 15.43 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 48 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 157191621 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.