N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea

C148H151ClF8N40O5S — CID 162164344

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCOc1ccccc1NC(=O)NC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CSc1ccccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3cccc(C(F)(F)F)c3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3cccc(F)c3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)cc3Cl)CC2)c2ccccc12
InChIInChI=1S/2C25H24F3N7O.C25H27N7O2.C25H28N6S.C24H24ClFN6.C24H24FN7O/c1-34-21(9-12-29-34)22-19-7-2-3-8-20(19)23(33-32-22)35-13-10-17(11-14-35)30-24(36)31-18-6-4-5-16(15-18)25(26,27)28;1-34-21(10-13-29-34)22-19-4-2-3-5-20(19)23(33-32-22)35-14-11-18(12-15-35)31-24(36)30-17-8-6-16(7-9-17)25(26,27)28;1-31-21(11-14-26-31)23-18-7-3-4-8-19(18)24(30-29-23)32-15-12-17(13-16-32)27-25(33)28-20-9-5-6-10-22(20)34-2;1-30-22(11-14-27-30)24-20-8-4-5-9-21(20)25(29-28-24)31-15-12-19(13-16-31)26-17-18-7-3-6-10-23(18)32-2;1-31-22(8-11-28-31)23-19-4-2-3-5-20(19)24(30-29-23)32-12-9-18(10-13-32)27-15-16-6-7-17(26)14-21(16)25;1-31-21(9-12-26-31)22-19-7-2-3-8-20(19)23(30-29-22)32-13-10-17(11-14-32)27-24(33)28-18-6-4-5-16(25)15-18/h2-9,12,15,17H,10-11,13-14H2,1H3,(H2,30,31,36);2-10,13,18H,11-12,14-15H2,1H3,(H2,30,31,36);3-11,14,17H,12-13,15-16H2,1-2H3,(H2,27,28,33);3-11,14,19,26H,12-13,15-17H2,1-2H3;2-8,11,14,18,27H,9-10,12-13,15H2,1H3;2-9,12,15,17H,10-11,13-14H2,1H3,(H2,27,28,33)
InChIKeyZMXRMLKDGRFCPO-UHFFFAOYSA-N
MW2789.61 g/mol
LogP26.56
Rot. Bonds28

About N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea

N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 162164344) has the molecular formula C148H151ClF8N40O5S and a molecular weight of 2789.61 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID162164344
Molecular FormulaC148H151ClF8N40O5S
Molecular Weight2789.61 g/mol
Exact Mass2787.21
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCOc1ccccc1NC(=O)NC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CSc1ccccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3cccc(C(F)(F)F)c3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3cccc(F)c3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)cc3Cl)CC2)c2ccccc12
InChIInChI=1S/2C25H24F3N7O.C25H27N7O2.C25H28N6S.C24H24ClFN6.C24H24FN7O/c1-34-21(9-12-29-34)22-19-7-2-3-8-20(19)23(33-32-22)35-13-10-17(11-14-35)30-24(36)31-18-6-4-5-16(15-18)25(26,27)28;1-34-21(10-13-29-34)22-19-4-2-3-5-20(19)23(33-32-22)35-14-11-18(12-15-35)31-24(36)30-17-8-6-16(7-9-17)25(26,27)28;1-31-21(11-14-26-31)23-18-7-3-4-8-19(18)24(30-29-23)32-15-12-17(13-16-32)27-25(33)28-20-9-5-6-10-22(20)34-2;1-30-22(11-14-27-30)24-20-8-4-5-9-21(20)25(29-28-24)31-15-12-19(13-16-31)26-17-18-7-3-6-10-23(18)32-2;1-31-22(8-11-28-31)23-19-4-2-3-5-20(19)24(30-29-23)32-12-9-18(10-13-32)27-15-16-6-7-17(26)14-21(16)25;1-31-21(9-12-26-31)22-19-7-2-3-8-20(19)23(30-29-22)32-13-10-17(11-14-32)27-24(33)28-18-6-4-5-16(25)15-18/h2-9,12,15,17H,10-11,13-14H2,1H3,(H2,30,31,36);2-10,13,18H,11-12,14-15H2,1H3,(H2,30,31,36);3-11,14,17H,12-13,15-16H2,1-2H3,(H2,27,28,33);3-11,14,19,26H,12-13,15-17H2,1-2H3;2-8,11,14,18,27H,9-10,12-13,15H2,1H3;2-9,12,15,17H,10-11,13-14H2,1H3,(H2,27,28,33)
InChIKeyZMXRMLKDGRFCPO-UHFFFAOYSA-N
XLogP26.56
TPSA478.85 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds28
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002789.61
LogP ≤ 526.56
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Analyze N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[2-(difluoromethoxy)phenyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-isocyanophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 157969760
1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 159707001
N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 159764451
N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 157912666
N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-fluoro-N,2-dimethyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzenesulfonamide;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea
CID 160686748
1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea
CID 160770850
N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;bis(N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine);1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 162126840

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 162164344) is N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is COc1ccccc1NC(=O)NC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CSc1ccccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3cccc(C(F)(F)F)c3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3cccc(F)c3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)cc3Cl)CC2)c2ccccc12.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is ZMXRMLKDGRFCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H24F3N7O.C25H27N7O2.C25H28N6S.C24H24ClFN6.C24H24FN7O/c1-34-21(9-12-29-34)22-19-7-2-3-8-20(19)23(33-32-22)35-13-10-17(11-14-35)30-24(36)31-18-6-4-5-16(15-18)25(26,27)28;1-34-21(10-13-29-34)22-19-4-2-3-5-20(19)23(33-32-22)35-14-11-18(12-15-35)31-24(36)30-17-8-6-16(7-9-17)25(26,27)28;1-31-21(11-14-26-31)23-18-7-3-4-8-19(18)24(30-29-23)32-15-12-17(13-16-32)27-25(33)28-20-9-5-6-10-22(20)34-2;1-30-22(11-14-27-30)24-20-8-4-5-9-21(20)25(29-28-24)31-15-12-19(13-16-31)26-17-18-7-3-6-10-23(18)32-2;1-31-22(8-11-28-31)23-19-4-2-3-5-20(19)24(30-29-23)32-12-9-18(10-13-32)27-15-16-6-7-17(26)14-21(16)25;1-31-21(9-12-26-31)22-19-7-2-3-8-20(19)23(30-29-22)32-13-10-17(11-14-32)27-24(33)28-18-6-4-5-16(25)15-18/h2-9,12,15,17H,10-11,13-14H2,1H3,(H2,30,31,36);2-10,13,18H,11-12,14-15H2,1H3,(H2,30,31,36);3-11,14,17H,12-13,15-16H2,1-2H3,(H2,27,28,33);3-11,14,19,26H,12-13,15-17H2,1-2H3;2-8,11,14,18,27H,9-10,12-13,15H2,1H3;2-9,12,15,17H,10-11,13-14H2,1H3,(H2,27,28,33).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 2789.61 g/mol, XLogP of 26.56, 28 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methylsulfanylphenyl)methyl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 162164344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).