1-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;5-bromo-1-methylpyrazol-3-amine;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl N-[4-[[6-[1-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[4-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-methyl-1-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]piperidine;4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline

C164H214BBr3F18N38O15 — CID 160516262

About 1-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;5-bromo-1-methylpyrazol-3-amine;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl N-[4-[[6-[1-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[4-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-methyl-1-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]piperidine;4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline

1-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;5-bromo-1-methylpyrazol-3-amine;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl N-[4-[[6-[1-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[4-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-methyl-1-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]piperidine;4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline (PubChem CID 160516262) has the molecular formula C164H214BBr3F18N38O15 and a molecular weight of 3550.25 g/mol. Its IUPAC name is 1-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;5-bromo-1-methylpyrazol-3-amine;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl N-[4-[[6-[1-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[4-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-methyl-1-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]piperidine;4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: 1-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;5-bromo-1-methylpyrazol-3-amine;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl N-[4-[[6-[1-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[4-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-methyl-1-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]piperidine;4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline
• PubChem CID: 160516262
• Molecular Formula: C164H214BBr3F18N38O15
• Molecular Weight: 3550.25 g/mol
• Exact Mass: 3545.45
• IUPAC Name: 1-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;5-bromo-1-methylpyrazol-3-amine;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl N-[4-[[6-[1-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[4-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-methyl-1-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]piperidine;4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline
• SMILES: CC(C)(C)OC(=O)NC1CCC(Nc2ncc3cc(B4OC(C)(C)C(C)(C)O4)ccc3n2)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CC1CCN(Cc2ccc(N)cc2C(F)(F)F)CC1.CC1CCN(Cc2ccc(NC(=O)Nc3cc(-c4ccc5nc(NC6CCC(NC(=O)OC(C)(C)C)CC6)ncc5c4)n(C)n3)cc2C(F)(F)F)CC1.CC1CCN(Cc2ccc(NC(=O)Nc3cc(Br)n(C)n3)cc2C(F)(F)F)CC1.CC1CCN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1.Cn1nc(N)cc1Br.Cn1nc(NC(=O)Nc2ccc(CN3CCC(N)CC3)c(C(F)(F)F)c2)cc1-c1ccc2nc(NC3CCC(N)CC3)ncc2c1.O=[N+]([O-])c1ccc(CBr)c(C(F)(F)F)c1
• InChI: InChI=1S/C38H48F3N9O3.C32H39F3N10O.C25H37BN4O4.C19H23BrF3N5O.C14H17F3N2O2.C14H19F3N2.C10H20N2O2.C8H5BrF3NO2.C4H6BrN3/c1-23-14-16-50(17-15-23)22-25-6-8-29(19-30(25)38(39,40)41)44-35(51)47-33-20-32(49(5)48-33)24-7-13-31-26(18-24)21-42-34(46-31)43-27-9-11-28(12-10-27)45-36(52)53-37(2,3)4;1-44-28(19-3-9-27-21(14-19)17-38-30(41-27)39-24-7-4-22(36)5-8-24)16-29(43-44)42-31(46)40-25-6-2-20(26(15-25)32(33,34)35)18-45-12-10-23(37)11-13-45;1-23(2,3)32-22(31)29-19-11-9-18(10-12-19)28-21-27-15-16-14-17(8-13-20(16)30-21)26-33-24(4,5)25(6,7)34-26;1-12-5-7-28(8-6-12)11-13-3-4-14(9-15(13)19(21,22)23)24-18(29)25-17-10-16(20)27(2)26-17;1-10-4-6-18(7-5-10)9-11-2-3-12(19(20)21)8-13(11)14(15,16)17;1-10-4-6-19(7-5-10)9-11-2-3-12(18)8-13(11)14(15,16)17;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;9-4-5-1-2-6(13(14)15)3-7(5)8(10,11)12;1-8-3(5)2-4(6)7-8/h6-8,13,18-21,23,27-28H,9-12,14-17,22H2,1-5H3,(H,45,52)(H,42,43,46)(H2,44,47,48,51);2-3,6,9,14-17,22-24H,4-5,7-8,10-13,18,36-37H2,1H3,(H,38,39,41)(H2,40,42,43,46);8,13-15,18-19H,9-12H2,1-7H3,(H,29,31)(H,27,28,30);3-4,9-10,12H,5-8,11H2,1-2H3,(H2,24,25,26,29);2-3,8,10H,4-7,9H2,1H3;2-3,8,10H,4-7,9,18H2,1H3;8,11H,4-7H2,1-3H3,(H,12,13);1-3H,4H2;2H,1H3,(H2,6,7)
• InChIKey: QTRSKTIQONZQEJ-UHFFFAOYSA-N
• XLogP: 35.63
• TPSA: 660.14 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 42
• Rotatable Bonds: 31
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3550.25
LogP ≤ 5	35.63
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;5-bromo-1-methylpyrazol-3-amine;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl N-[4-[[6-[1-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[4-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-methyl-1-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]piperidine;4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline?

The IUPAC name of 1-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;5-bromo-1-methylpyrazol-3-amine;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl N-[4-[[6-[1-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[4-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-methyl-1-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]piperidine;4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline (CID 160516262) is 1-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;5-bromo-1-methylpyrazol-3-amine;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl N-[4-[[6-[1-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[4-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-methyl-1-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]piperidine;4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline.

What is the SMILES notation for 1-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;5-bromo-1-methylpyrazol-3-amine;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl N-[4-[[6-[1-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[4-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-methyl-1-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]piperidine;4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline?

The canonical SMILES for 1-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;5-bromo-1-methylpyrazol-3-amine;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl N-[4-[[6-[1-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[4-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-methyl-1-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]piperidine;4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline is CC(C)(C)OC(=O)NC1CCC(Nc2ncc3cc(B4OC(C)(C)C(C)(C)O4)ccc3n2)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CC1CCN(Cc2ccc(N)cc2C(F)(F)F)CC1.CC1CCN(Cc2ccc(NC(=O)Nc3cc(-c4ccc5nc(NC6CCC(NC(=O)OC(C)(C)C)CC6)ncc5c4)n(C)n3)cc2C(F)(F)F)CC1.CC1CCN(Cc2ccc(NC(=O)Nc3cc(Br)n(C)n3)cc2C(F)(F)F)CC1.CC1CCN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1.Cn1nc(N)cc1Br.Cn1nc(NC(=O)Nc2ccc(CN3CCC(N)CC3)c(C(F)(F)F)c2)cc1-c1ccc2nc(NC3CCC(N)CC3)ncc2c1.O=[N+]([O-])c1ccc(CBr)c(C(F)(F)F)c1.

What is the InChIKey of 1-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;5-bromo-1-methylpyrazol-3-amine;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl N-[4-[[6-[1-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[4-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-methyl-1-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]piperidine;4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline?

The InChIKey is QTRSKTIQONZQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48F3N9O3.C32H39F3N10O.C25H37BN4O4.C19H23BrF3N5O.C14H17F3N2O2.C14H19F3N2.C10H20N2O2.C8H5BrF3NO2.C4H6BrN3/c1-23-14-16-50(17-15-23)22-25-6-8-29(19-30(25)38(39,40)41)44-35(51)47-33-20-32(49(5)48-33)24-7-13-31-26(18-24)21-42-34(46-31)43-27-9-11-28(12-10-27)45-36(52)53-37(2,3)4;1-44-28(19-3-9-27-21(14-19)17-38-30(41-27)39-24-7-4-22(36)5-8-24)16-29(43-44)42-31(46)40-25-6-2-20(26(15-25)32(33,34)35)18-45-12-10-23(37)11-13-45;1-23(2,3)32-22(31)29-19-11-9-18(10-12-19)28-21-27-15-16-14-17(8-13-20(16)30-21)26-33-24(4,5)25(6,7)34-26;1-12-5-7-28(8-6-12)11-13-3-4-14(9-15(13)19(21,22)23)24-18(29)25-17-10-16(20)27(2)26-17;1-10-4-6-18(7-5-10)9-11-2-3-12(19(20)21)8-13(11)14(15,16)17;1-10-4-6-19(7-5-10)9-11-2-3-12(18)8-13(11)14(15,16)17;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;9-4-5-1-2-6(13(14)15)3-7(5)8(10,11)12;1-8-3(5)2-4(6)7-8/h6-8,13,18-21,23,27-28H,9-12,14-17,22H2,1-5H3,(H,45,52)(H,42,43,46)(H2,44,47,48,51);2-3,6,9,14-17,22-24H,4-5,7-8,10-13,18,36-37H2,1H3,(H,38,39,41)(H2,40,42,43,46);8,13-15,18-19H,9-12H2,1-7H3,(H,29,31)(H,27,28,30);3-4,9-10,12H,5-8,11H2,1-2H3,(H2,24,25,26,29);2-3,8,10H,4-7,9H2,1H3;2-3,8,10H,4-7,9,18H2,1H3;8,11H,4-7H2,1-3H3,(H,12,13);1-3H,4H2;2H,1H3,(H2,6,7).

What are the key properties of 1-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;5-bromo-1-methylpyrazol-3-amine;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl N-[4-[[6-[1-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[4-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-methyl-1-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]piperidine;4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline?

1-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;5-bromo-1-methylpyrazol-3-amine;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl N-[4-[[6-[1-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[4-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-methyl-1-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]piperidine;4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline has a molecular weight of 3550.25 g/mol, XLogP of 35.63, 31 rotatable bonds, 17 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;5-bromo-1-methylpyrazol-3-amine;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl N-[4-[[6-[1-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[4-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-methyl-1-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]piperidine;4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 160516262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).