1-(4-fluoro-2-methylphenyl)-3-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea

C94H90F13N35O4 — CID 159479273

About 1-(4-fluoro-2-methylphenyl)-3-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea

1-(4-fluoro-2-methylphenyl)-3-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea (PubChem CID 159479273) has the molecular formula C94H90F13N35O4 and a molecular weight of 2020.97 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea.

Molecular Properties

• Compound Name: 1-(4-fluoro-2-methylphenyl)-3-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea
• PubChem CID: 159479273
• Molecular Formula: C94H90F13N35O4
• Molecular Weight: 2020.97 g/mol
• Exact Mass: 2019.77
• IUPAC Name: 1-(4-fluoro-2-methylphenyl)-3-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea
• SMILES: CN(C(=O)Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3nccnc23)CC1.Cc1cc(F)ccc1NC(=O)NC1CCN(c2nnc(-c3ccnn3C)c3nccnc23)CC1.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c2cccnc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c2cnncc12
• InChI: InChI=1S/C24H23F4N9O.C24H22F4N8O.C23H21F4N9O.C23H24FN9O/c1-35(23(38)32-17-4-3-14(25)13-16(17)24(26,27)28)15-6-11-37(12-7-15)22-21-20(29-9-10-30-21)19(33-34-22)18-5-8-31-36(18)2;1-35-19(6-10-30-35)21-20-16(3-2-9-29-20)22(34-33-21)36-11-7-15(8-12-36)31-23(37)32-18-5-4-14(25)13-17(18)24(26,27)28;1-35-19(4-7-30-35)20-15-11-28-29-12-16(15)21(34-33-20)36-8-5-14(6-9-36)31-22(37)32-18-3-2-13(24)10-17(18)23(25,26)27;1-14-13-15(24)3-4-17(14)29-23(34)28-16-6-11-33(12-7-16)22-21-20(25-9-10-26-21)19(30-31-22)18-5-8-27-32(18)2/h3-5,8-10,13,15H,6-7,11-12H2,1-2H3,(H,32,38);2-6,9-10,13,15H,7-8,11-12H2,1H3,(H2,31,32,37);2-4,7,10-12,14H,5-6,8-9H2,1H3,(H2,31,32,37);3-5,8-10,13,16H,6-7,11-12H2,1-2H3,(H2,28,29,34)
• InChIKey: LWUGZUKURWASKB-UHFFFAOYSA-N
• XLogP: 15.31
• TPSA: 433.32 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 16
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2020.97
LogP ≤ 5	15.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea?

The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea (CID 159479273) is 1-(4-fluoro-2-methylphenyl)-3-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea.

What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea?

The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea is CN(C(=O)Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3nccnc23)CC1.Cc1cc(F)ccc1NC(=O)NC1CCN(c2nnc(-c3ccnn3C)c3nccnc23)CC1.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c2cccnc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c2cnncc12.

What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea?

The InChIKey is LWUGZUKURWASKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N9O.C24H22F4N8O.C23H21F4N9O.C23H24FN9O/c1-35(23(38)32-17-4-3-14(25)13-16(17)24(26,27)28)15-6-11-37(12-7-15)22-21-20(29-9-10-30-21)19(33-34-22)18-5-8-31-36(18)2;1-35-19(6-10-30-35)21-20-16(3-2-9-29-20)22(34-33-21)36-11-7-15(8-12-36)31-23(37)32-18-5-4-14(25)13-17(18)24(26,27)28;1-35-19(4-7-30-35)20-15-11-28-29-12-16(15)21(34-33-20)36-8-5-14(6-9-36)31-22(37)32-18-3-2-13(24)10-17(18)23(25,26)27;1-14-13-15(24)3-4-17(14)29-23(34)28-16-6-11-33(12-7-16)22-21-20(25-9-10-26-21)19(30-31-22)18-5-8-27-32(18)2/h3-5,8-10,13,15H,6-7,11-12H2,1-2H3,(H,32,38);2-6,9-10,13,15H,7-8,11-12H2,1H3,(H2,31,32,37);2-4,7,10-12,14H,5-6,8-9H2,1H3,(H2,31,32,37);3-5,8-10,13,16H,6-7,11-12H2,1-2H3,(H2,28,29,34).

What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea?

1-(4-fluoro-2-methylphenyl)-3-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea has a molecular weight of 2020.97 g/mol, XLogP of 15.31, 16 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluoro-2-methylphenyl)-3-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea is sourced from PubChem (CID 159479273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).