bis(3-(2,4-difluorophenyl)-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea);1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-(1-pyridin-4-ylpyrido[3,4-d]pyridazin-4-yl)piperidin-4-yl]urea

C119H116F14N38O5 — CID 158078184

IUPACbis(3-(2,4-difluorophenyl)-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea);1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-(1-pyridin-4-ylpyrido[3,4-d]pyridazin-4-yl)piperidin-4-yl]urea
SMILESCN(C(=O)Nc1ccc(F)cc1F)C1CCN(c2nnc(-c3ccnn3C)c3ncccc23)CC1.CN(C(=O)Nc1ccc(F)cc1F)C1CCN(c2nnc(-c3ccnn3C)c3ncccc23)CC1.Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c1C.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)c2cnccc12.O=C(Nc1ccc(F)cc1C(F)(F)F)NC1CCN(c2nnc(-c3ccncc3)c3ccncc23)CC1
InChIInChI=1S/C25H21F4N7O.2C24H24F2N8O.C23H25F4N7O.C23H22F2N8O/c26-16-1-2-21(20(13-16)25(27,28)29)33-24(37)32-17-6-11-36(12-7-17)23-19-14-31-10-5-18(19)22(34-35-23)15-3-8-30-9-4-15;2*1-32(24(35)29-19-6-5-15(25)14-18(19)26)16-8-12-34(13-9-16)23-17-4-3-10-27-21(17)22(30-31-23)20-7-11-28-33(20)2;1-13-14(2)21(32-31-20(13)19-6-9-28-33(19)3)34-10-7-16(8-11-34)29-22(35)30-18-5-4-15(24)12-17(18)23(25,26)27;1-32-20(5-9-27-32)21-16-4-8-26-13-17(16)22(31-30-21)33-10-6-15(7-11-33)28-23(34)29-19-3-2-14(24)12-18(19)25/h1-5,8-10,13-14,17H,6-7,11-12H2,(H2,32,33,37);2*3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,29,35);4-6,9,12,16H,7-8,10-11H2,1-3H3,(H2,29,30,35);2-5,8-9,12-13,15H,6-7,10-11H2,1H3,(H2,28,29,34)
InChIKeyFMPWYAIAEYORCT-UHFFFAOYSA-N
MW2424.47 g/mol
LogP20.64
Rot. Bonds20

About bis(3-(2,4-difluorophenyl)-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea);1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-(1-pyridin-4-ylpyrido[3,4-d]pyridazin-4-yl)piperidin-4-yl]urea

bis(3-(2,4-difluorophenyl)-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea);1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-(1-pyridin-4-ylpyrido[3,4-d]pyridazin-4-yl)piperidin-4-yl]urea (PubChem CID 158078184) has the molecular formula C119H116F14N38O5 and a molecular weight of 2424.47 g/mol. Its IUPAC name is bis(3-(2,4-difluorophenyl)-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea);1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-(1-pyridin-4-ylpyrido[3,4-d]pyridazin-4-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Namebis(3-(2,4-difluorophenyl)-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea);1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-(1-pyridin-4-ylpyrido[3,4-d]pyridazin-4-yl)piperidin-4-yl]urea
PubChem CID158078184
Molecular FormulaC119H116F14N38O5
Molecular Weight2424.47 g/mol
Exact Mass2422.98
IUPAC Namebis(3-(2,4-difluorophenyl)-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea);1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-(1-pyridin-4-ylpyrido[3,4-d]pyridazin-4-yl)piperidin-4-yl]urea
SMILESCN(C(=O)Nc1ccc(F)cc1F)C1CCN(c2nnc(-c3ccnn3C)c3ncccc23)CC1.CN(C(=O)Nc1ccc(F)cc1F)C1CCN(c2nnc(-c3ccnn3C)c3ncccc23)CC1.Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c1C.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)c2cnccc12.O=C(Nc1ccc(F)cc1C(F)(F)F)NC1CCN(c2nnc(-c3ccncc3)c3ccncc23)CC1
InChIInChI=1S/C25H21F4N7O.2C24H24F2N8O.C23H25F4N7O.C23H22F2N8O/c26-16-1-2-21(20(13-16)25(27,28)29)33-24(37)32-17-6-11-36(12-7-17)23-19-14-31-10-5-18(19)22(34-35-23)15-3-8-30-9-4-15;2*1-32(24(35)29-19-6-5-15(25)14-18(19)26)16-8-12-34(13-9-16)23-17-4-3-10-27-21(17)22(30-31-23)20-7-11-28-33(20)2;1-13-14(2)21(32-31-20(13)19-6-9-28-33(19)3)34-10-7-16(8-11-34)29-22(35)30-18-5-4-15(24)12-17(18)23(25,26)27;1-32-20(5-9-27-32)21-16-4-8-26-13-17(16)22(31-30-21)33-10-6-15(7-11-33)28-23(34)29-19-3-2-14(24)12-18(19)25/h1-5,8-10,13-14,17H,6-7,11-12H2,(H2,32,33,37);2*3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,29,35);4-6,9,12,16H,7-8,10-11H2,1-3H3,(H2,29,30,35);2-5,8-9,12-13,15H,6-7,10-11H2,1H3,(H2,28,29,34)
InChIKeyFMPWYAIAEYORCT-UHFFFAOYSA-N
XLogP20.64
TPSA468.90 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002424.47
LogP ≤ 520.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Analyze bis(3-(2,4-difluorophenyl)-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea);1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-(1-pyridin-4-ylpyrido[3,4-d]pyridazin-4-yl)piperidin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(6-pyrazol-1-ylpyridin-3-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 71572808
1-[4-Fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea
CID 86343680
3-[4-Fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]-4-piperidyl]urea
CID 86343857
1-(2,4-Difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea
CID 86343859
3,3-dimethyl-1,1-bis[4-pyrazol-1-yl-3-(trifluoromethyl)phenyl]-8-pyridin-3-yl-8-quinolin-3-yl-5a,9-dihydro-5H-imidazo[4,5-c]quinoline-1,3-diium-2-one
CID 89676382
3-[4-Fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea
CID 117727219
3-(2,4-Difluorophenyl)-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea
CID 117727225
3-[4-Fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea
CID 117727295
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 117727299
1-[4-Fluoro-2-(trifluoromethyl)phenyl]-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea
CID 117727301
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
CID 117727304
1-[4-Fluoro-2-(trifluoromethyl)phenyl]-3-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea
CID 117727305

Frequently Asked Questions

What is the IUPAC name of bis(3-(2,4-difluorophenyl)-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea);1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-(1-pyridin-4-ylpyrido[3,4-d]pyridazin-4-yl)piperidin-4-yl]urea?
The IUPAC name of bis(3-(2,4-difluorophenyl)-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea);1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-(1-pyridin-4-ylpyrido[3,4-d]pyridazin-4-yl)piperidin-4-yl]urea (CID 158078184) is bis(3-(2,4-difluorophenyl)-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea);1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-(1-pyridin-4-ylpyrido[3,4-d]pyridazin-4-yl)piperidin-4-yl]urea.
What is the SMILES notation for bis(3-(2,4-difluorophenyl)-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea);1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-(1-pyridin-4-ylpyrido[3,4-d]pyridazin-4-yl)piperidin-4-yl]urea?
The canonical SMILES for bis(3-(2,4-difluorophenyl)-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea);1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-(1-pyridin-4-ylpyrido[3,4-d]pyridazin-4-yl)piperidin-4-yl]urea is CN(C(=O)Nc1ccc(F)cc1F)C1CCN(c2nnc(-c3ccnn3C)c3ncccc23)CC1.CN(C(=O)Nc1ccc(F)cc1F)C1CCN(c2nnc(-c3ccnn3C)c3ncccc23)CC1.Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c1C.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)c2cnccc12.O=C(Nc1ccc(F)cc1C(F)(F)F)NC1CCN(c2nnc(-c3ccncc3)c3ccncc23)CC1.
What is the InChIKey of bis(3-(2,4-difluorophenyl)-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea);1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-(1-pyridin-4-ylpyrido[3,4-d]pyridazin-4-yl)piperidin-4-yl]urea?
The InChIKey is FMPWYAIAEYORCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N7O.2C24H24F2N8O.C23H25F4N7O.C23H22F2N8O/c26-16-1-2-21(20(13-16)25(27,28)29)33-24(37)32-17-6-11-36(12-7-17)23-19-14-31-10-5-18(19)22(34-35-23)15-3-8-30-9-4-15;2*1-32(24(35)29-19-6-5-15(25)14-18(19)26)16-8-12-34(13-9-16)23-17-4-3-10-27-21(17)22(30-31-23)20-7-11-28-33(20)2;1-13-14(2)21(32-31-20(13)19-6-9-28-33(19)3)34-10-7-16(8-11-34)29-22(35)30-18-5-4-15(24)12-17(18)23(25,26)27;1-32-20(5-9-27-32)21-16-4-8-26-13-17(16)22(31-30-21)33-10-6-15(7-11-33)28-23(34)29-19-3-2-14(24)12-18(19)25/h1-5,8-10,13-14,17H,6-7,11-12H2,(H2,32,33,37);2*3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,29,35);4-6,9,12,16H,7-8,10-11H2,1-3H3,(H2,29,30,35);2-5,8-9,12-13,15H,6-7,10-11H2,1H3,(H2,28,29,34).
What are the key properties of bis(3-(2,4-difluorophenyl)-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea);1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-(1-pyridin-4-ylpyrido[3,4-d]pyridazin-4-yl)piperidin-4-yl]urea?
bis(3-(2,4-difluorophenyl)-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea);1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-(1-pyridin-4-ylpyrido[3,4-d]pyridazin-4-yl)piperidin-4-yl]urea has a molecular weight of 2424.47 g/mol, XLogP of 20.64, 20 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-(2,4-difluorophenyl)-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea);1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-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]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-(1-pyridin-4-ylpyrido[3,4-d]pyridazin-4-yl)piperidin-4-yl]urea is sourced from PubChem (CID 158078184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).