1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea

C128H169F4N47O6 — CID 158865677

About 1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea

1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea (PubChem CID 158865677) has the molecular formula C128H169F4N47O6 and a molecular weight of 2538.07 g/mol. Its IUPAC name is 1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea.

Molecular Properties

• Compound Name: 1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea
• PubChem CID: 158865677
• Molecular Formula: C128H169F4N47O6
• Molecular Weight: 2538.07 g/mol
• Exact Mass: 2536.43
• IUPAC Name: 1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea
• SMILES: Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)C(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c1C.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC(C)(C)C)CC2)c2c1CCC2.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC(C)(C)C)CC2)c2cccnc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC(C)(C)C)CC2)c2cnccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC(C)(C)C)CC2)c2cnncc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC(C)(C)C)CC2)c2ncccc12
• InChI: InChI=1S/C24H27F4N7O.3C21H28N8O.C21H31N7O.C20H27N9O/c1-14-15(2)22(32-31-21(14)20-7-10-29-34(20)4)35-11-8-17(9-12-35)33(3)23(36)30-19-6-5-16(25)13-18(19)24(26,27)28;1-21(2,3)25-20(30)24-14-7-11-29(12-8-14)19-16-13-22-9-5-15(16)18(26-27-19)17-6-10-23-28(17)4;1-21(2,3)25-20(30)24-14-8-12-29(13-9-14)19-15-6-5-10-22-17(15)18(26-27-19)16-7-11-23-28(16)4;1-21(2,3)25-20(30)24-14-8-12-29(13-9-14)19-18-15(6-5-10-22-18)17(26-27-19)16-7-11-23-28(16)4;1-21(2,3)24-20(29)23-14-9-12-28(13-10-14)19-16-7-5-6-15(16)18(25-26-19)17-8-11-22-27(17)4;1-20(2,3)25-19(30)24-13-6-9-29(10-7-13)18-15-12-22-21-11-14(15)17(26-27-18)16-5-8-23-28(16)4/h5-7,10,13,17H,8-9,11-12H2,1-4H3,(H,30,36);5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H2,24,25,30);2*5-7,10-11,14H,8-9,12-13H2,1-4H3,(H2,24,25,30);8,11,14H,5-7,9-10,12-13H2,1-4H3,(H2,23,24,29);5,8,11-13H,6-7,9-10H2,1-4H3,(H2,24,25,30)
• InChIKey: JBEVOMGKEORGBB-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 583.48 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 41
• Rotatable Bonds: 19
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2538.07
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea?

The IUPAC name of 1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea (CID 158865677) is 1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea.

What is the SMILES notation for 1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea?

The canonical SMILES for 1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea is Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)C(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c1C.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC(C)(C)C)CC2)c2c1CCC2.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC(C)(C)C)CC2)c2cccnc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC(C)(C)C)CC2)c2cnccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC(C)(C)C)CC2)c2cnncc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC(C)(C)C)CC2)c2ncccc12.

What is the InChIKey of 1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea?

The InChIKey is JBEVOMGKEORGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F4N7O.3C21H28N8O.C21H31N7O.C20H27N9O/c1-14-15(2)22(32-31-21(14)20-7-10-29-34(20)4)35-11-8-17(9-12-35)33(3)23(36)30-19-6-5-16(25)13-18(19)24(26,27)28;1-21(2,3)25-20(30)24-14-7-11-29(12-8-14)19-16-13-22-9-5-15(16)18(26-27-19)17-6-10-23-28(17)4;1-21(2,3)25-20(30)24-14-8-12-29(13-9-14)19-15-6-5-10-22-17(15)18(26-27-19)16-7-11-23-28(16)4;1-21(2,3)25-20(30)24-14-8-12-29(13-9-14)19-18-15(6-5-10-22-18)17(26-27-19)16-7-11-23-28(16)4;1-21(2,3)24-20(29)23-14-9-12-28(13-10-14)19-16-7-5-6-15(16)18(25-26-19)17-8-11-22-27(17)4;1-20(2,3)25-19(30)24-13-6-9-29(10-7-13)18-15-12-22-21-11-14(15)17(26-27-18)16-5-8-23-28(16)4/h5-7,10,13,17H,8-9,11-12H2,1-4H3,(H,30,36);5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H2,24,25,30);2*5-7,10-11,14H,8-9,12-13H2,1-4H3,(H2,24,25,30);8,11,14H,5-7,9-10,12-13H2,1-4H3,(H2,23,24,29);5,8,11-13H,6-7,9-10H2,1-4H3,(H2,24,25,30).

What are the key properties of 1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea?

1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea has a molecular weight of 2538.07 g/mol, XLogP of 16.58, 19 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-tert-butyl-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea is sourced from PubChem (CID 158865677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).