1-[4-[[2-aminoethyl(methyl)amino]methyl]-3-(trifluoromethyl)phenyl]-3-[5-(2-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]urea;[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]quinazolin-6-yl]boronic acid;(E)-3-bromo-3-(methylamino)prop-2-enimidamide;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;6-bromoquinazolin-2-amine;bis(tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(methylamino)ethyl]carbamate;tert-butyl N-[2-[methyl-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]amino]ethyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C186H253B3Br4F12N42O38 — CID 160653421

IUPAC1-[4-[[2-aminoethyl(methyl)amino]methyl]-3-(trifluoromethyl)phenyl]-3-[5-(2-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]urea;[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]quinazolin-6-yl]boronic acid;(E)-3-bromo-3-(methylamino)prop-2-enimidamide;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;6-bromoquinazolin-2-amine;bis(tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(methylamino)ethyl]carbamate;tert-butyl N-[2-[methyl-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]amino]ethyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc2cc(B(O)O)ccc2n1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc2cc(Br)ccc2n1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN(CCN)Cc1ccc(NC(=O)Nc2cc(-c3ccc4nc(N)ncc4c3)n(C)n2)cc1C(F)(F)F.CN(CCNC(=O)OC(C)(C)C)Cc1ccc(N)cc1C(F)(F)F.CN(CCNC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1C(F)(F)F.CNCCNC(=O)OC(C)(C)C.Cn1nc(N)cc1-c1ccc2nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncc2c1.Cn1nc(N)cc1-c1ccc2nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncc2c1.Nc1ncc2cc(Br)ccc2n1.O=[N+]([O-])c1ccc(CBr)c(C(F)(F)F)c1.[H]/N=C(N)/C=C(/Br)NC
InChIInChI=1S/C24H26F3N9O.2C22H28N6O4.C18H24BN3O6.C18H22BrN3O4.C16H22F3N3O4.C16H24F3N3O2.C12H24B2O4.C10H18O5.C8H5BrF3NO2.C8H6BrN3.C8H18N2O2.C4H8BrN3/c1-35(8-7-28)13-15-3-5-17(10-18(15)24(25,26)27)31-23(37)33-21-11-20(36(2)34-21)14-4-6-19-16(9-14)12-30-22(29)32-19;2*1-21(2,3)31-19(29)28(20(30)32-22(4,5)6)18-24-12-14-10-13(8-9-15(14)25-18)16-11-17(23)26-27(16)7;1-17(2,3)27-15(23)22(16(24)28-18(4,5)6)14-20-10-11-9-12(19(25)26)7-8-13(11)21-14;1-17(2,3)25-15(23)22(16(24)26-18(4,5)6)14-20-10-11-9-12(19)7-8-13(11)21-14;1-15(2,3)26-14(23)20-7-8-21(4)10-11-5-6-12(22(24)25)9-13(11)16(17,18)19;1-15(2,3)24-14(23)21-7-8-22(4)10-11-5-6-12(20)9-13(11)16(17,18)19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;9-4-5-1-2-6(13(14)15)3-7(5)8(10,11)12;9-6-1-2-7-5(3-6)4-11-8(10)12-7;1-8(2,3)12-7(11)10-6-5-9-4;1-8-3(5)2-4(6)7/h3-6,9-12H,7-8,13,28H2,1-2H3,(H2,29,30,32)(H2,31,33,34,37);2*8-12H,1-7H3,(H2,23,26);7-10,25-26H,1-6H3;7-10H,1-6H3;5-6,9H,7-8,10H2,1-4H3,(H,20,23);5-6,9H,7-8,10,20H2,1-4H3,(H,21,23);1-8H3;1-6H3;1-3H,4H2;1-4H,(H2,10,11,12);9H,5-6H2,1-4H3,(H,10,11);2,8H,1H3,(H3,6,7)/b;;;;;;;;;;;;3-2-
InChIKeyRKSJYFTUPCVMAZ-MVCBMMKGSA-N
MW4265.35 g/mol
LogP37.83
Rot. Bonds33

About 1-[4-[[2-aminoethyl(methyl)amino]methyl]-3-(trifluoromethyl)phenyl]-3-[5-(2-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]urea;[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]quinazolin-6-yl]boronic acid;(E)-3-bromo-3-(methylamino)prop-2-enimidamide;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;6-bromoquinazolin-2-amine;bis(tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(methylamino)ethyl]carbamate;tert-butyl N-[2-[methyl-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]amino]ethyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

1-[4-[[2-aminoethyl(methyl)amino]methyl]-3-(trifluoromethyl)phenyl]-3-[5-(2-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]urea;[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]quinazolin-6-yl]boronic acid;(E)-3-bromo-3-(methylamino)prop-2-enimidamide;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;6-bromoquinazolin-2-amine;bis(tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(methylamino)ethyl]carbamate;tert-butyl N-[2-[methyl-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]amino]ethyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 160653421) has the molecular formula C186H253B3Br4F12N42O38 and a molecular weight of 4265.35 g/mol. Its IUPAC name is 1-[4-[[2-aminoethyl(methyl)amino]methyl]-3-(trifluoromethyl)phenyl]-3-[5-(2-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]urea;[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]quinazolin-6-yl]boronic acid;(E)-3-bromo-3-(methylamino)prop-2-enimidamide;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;6-bromoquinazolin-2-amine;bis(tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(methylamino)ethyl]carbamate;tert-butyl N-[2-[methyl-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]amino]ethyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name1-[4-[[2-aminoethyl(methyl)amino]methyl]-3-(trifluoromethyl)phenyl]-3-[5-(2-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]urea;[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]quinazolin-6-yl]boronic acid;(E)-3-bromo-3-(methylamino)prop-2-enimidamide;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;6-bromoquinazolin-2-amine;bis(tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(methylamino)ethyl]carbamate;tert-butyl N-[2-[methyl-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]amino]ethyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID160653421
Molecular FormulaC186H253B3Br4F12N42O38
Molecular Weight4265.35 g/mol
Exact Mass4259.60
IUPAC Name1-[4-[[2-aminoethyl(methyl)amino]methyl]-3-(trifluoromethyl)phenyl]-3-[5-(2-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]urea;[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]quinazolin-6-yl]boronic acid;(E)-3-bromo-3-(methylamino)prop-2-enimidamide;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;6-bromoquinazolin-2-amine;bis(tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(methylamino)ethyl]carbamate;tert-butyl N-[2-[methyl-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]amino]ethyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc2cc(B(O)O)ccc2n1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc2cc(Br)ccc2n1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN(CCN)Cc1ccc(NC(=O)Nc2cc(-c3ccc4nc(N)ncc4c3)n(C)n2)cc1C(F)(F)F.CN(CCNC(=O)OC(C)(C)C)Cc1ccc(N)cc1C(F)(F)F.CN(CCNC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1C(F)(F)F.CNCCNC(=O)OC(C)(C)C.Cn1nc(N)cc1-c1ccc2nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncc2c1.Cn1nc(N)cc1-c1ccc2nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncc2c1.Nc1ncc2cc(Br)ccc2n1.O=[N+]([O-])c1ccc(CBr)c(C(F)(F)F)c1.[H]/N=C(N)/C=C(/Br)NC
InChIInChI=1S/C24H26F3N9O.2C22H28N6O4.C18H24BN3O6.C18H22BrN3O4.C16H22F3N3O4.C16H24F3N3O2.C12H24B2O4.C10H18O5.C8H5BrF3NO2.C8H6BrN3.C8H18N2O2.C4H8BrN3/c1-35(8-7-28)13-15-3-5-17(10-18(15)24(25,26)27)31-23(37)33-21-11-20(36(2)34-21)14-4-6-19-16(9-14)12-30-22(29)32-19;2*1-21(2,3)31-19(29)28(20(30)32-22(4,5)6)18-24-12-14-10-13(8-9-15(14)25-18)16-11-17(23)26-27(16)7;1-17(2,3)27-15(23)22(16(24)28-18(4,5)6)14-20-10-11-9-12(19(25)26)7-8-13(11)21-14;1-17(2,3)25-15(23)22(16(24)26-18(4,5)6)14-20-10-11-9-12(19)7-8-13(11)21-14;1-15(2,3)26-14(23)20-7-8-21(4)10-11-5-6-12(22(24)25)9-13(11)16(17,18)19;1-15(2,3)24-14(23)21-7-8-22(4)10-11-5-6-12(20)9-13(11)16(17,18)19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;9-4-5-1-2-6(13(14)15)3-7(5)8(10,11)12;9-6-1-2-7-5(3-6)4-11-8(10)12-7;1-8(2,3)12-7(11)10-6-5-9-4;1-8-3(5)2-4(6)7/h3-6,9-12H,7-8,13,28H2,1-2H3,(H2,29,30,32)(H2,31,33,34,37);2*8-12H,1-7H3,(H2,23,26);7-10,25-26H,1-6H3;7-10H,1-6H3;5-6,9H,7-8,10H2,1-4H3,(H,20,23);5-6,9H,7-8,10,20H2,1-4H3,(H,21,23);1-8H3;1-6H3;1-3H,4H2;1-4H,(H2,10,11,12);9H,5-6H2,1-4H3,(H,10,11);2,8H,1H3,(H3,6,7)/b;;;;;;;;;;;;3-2-
InChIKeyRKSJYFTUPCVMAZ-MVCBMMKGSA-N
XLogP37.83
TPSA1052.88 Ų
H-Bond Donors17
H-Bond Acceptors68
Rotatable Bonds33
Heavy Atoms285
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004265.35
LogP ≤ 537.83
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1068

Analyze 1-[4-[[2-aminoethyl(methyl)amino]methyl]-3-(trifluoromethyl)phenyl]-3-[5-(2-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]urea;[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]quinazolin-6-yl]boronic acid;(E)-3-bromo-3-(methylamino)prop-2-enimidamide;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;6-bromoquinazolin-2-amine;bis(tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(methylamino)ethyl]carbamate;tert-butyl N-[2-[methyl-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]amino]ethyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane 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

CID 157782318
CID 157782318
1-[5-(2-Amino-8-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;5-bromo-2-fluoro-3-methylbenzaldehyde;4-bromo-1-fluoro-2-methylbenzene;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;6-bromo-8-methylquinazolin-2-amine;guanidine;8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158708976
1-(Bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[[butyl(methyl)amino]methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl 4-[[6-[3-[[4-[[2-(dimethylamino)ethyl-methylamino]methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]-1-methylpyrazol-5-yl]quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]piperidine-1-carboxylate;1-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]-3-(trifluoromethyl)phenyl]-3-[1-methyl-5-[2-(piperidin-4-ylamino)quinazolin-6-yl]pyrazol-3-yl]urea
CID 159040769
1-[5-(2-Amino-8-ethylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;6-bromo-8-ethylquinazolin-2-amine;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159234398
4-Aminocyclohexan-1-ol;6-bromo-8-ethyl-2-iodoquinazoline;4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexan-1-ol;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-[8-ethyl-2-[(4-hydroxycyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexan-1-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159562351
1-(5-Bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl 4-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[6-[1-methyl-3-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]pyrazol-5-yl]quinazolin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]piperidine-1-carboxylate;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[1-methyl-5-[2-(piperidin-4-ylamino)quinazolin-6-yl]pyrazol-3-yl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159677990
1-[4-[[2-aminoethyl(methyl)amino]methyl]-3-(trifluoromethyl)phenyl]-3-[5-(2-aminoquinazolin-6-yl)-1H-pyrazol-3-yl]urea;[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]quinazolin-6-yl]boronic acid;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;5-bromo-1-methylpyrazol-3-amine;6-bromoquinazolin-2-amine;bis(tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(methylamino)ethyl]carbamate;tert-butyl N-[2-[methyl-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]amino]ethyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159683940
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
CID 161476857
CID 161476857
3-Azabicyclo[3.2.1]octane;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;tert-butyl 4-[[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[6-[1-methyl-3-[[4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]pyrazol-5-yl]quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;3-methyl-3-azabicyclo[3.2.1]octane;3-methyl-3,8-diazabicyclo[3.2.1]octane;4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-3-(trifluoromethyl)aniline;1-[4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[1-methyl-5-[2-(piperidin-4-ylamino)quinazolin-6-yl]pyrazol-3-yl]urea;3-methyl-8-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]-3,8-diazabicyclo[3.2.1]octane
CID 161760317
Dipotassium;6-bromo-2-iodoquinazoline;5-bromo-1-methylpyrazol-3-amine;tert-butyl 4-[[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]piperidine-1-carboxylate;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158096564

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-aminoethyl(methyl)amino]methyl]-3-(trifluoromethyl)phenyl]-3-[5-(2-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]urea;[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]quinazolin-6-yl]boronic acid;(E)-3-bromo-3-(methylamino)prop-2-enimidamide;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;6-bromoquinazolin-2-amine;bis(tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(methylamino)ethyl]carbamate;tert-butyl N-[2-[methyl-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]amino]ethyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 1-[4-[[2-aminoethyl(methyl)amino]methyl]-3-(trifluoromethyl)phenyl]-3-[5-(2-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]urea;[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]quinazolin-6-yl]boronic acid;(E)-3-bromo-3-(methylamino)prop-2-enimidamide;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;6-bromoquinazolin-2-amine;bis(tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(methylamino)ethyl]carbamate;tert-butyl N-[2-[methyl-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]amino]ethyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 160653421) is 1-[4-[[2-aminoethyl(methyl)amino]methyl]-3-(trifluoromethyl)phenyl]-3-[5-(2-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]urea;[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]quinazolin-6-yl]boronic acid;(E)-3-bromo-3-(methylamino)prop-2-enimidamide;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;6-bromoquinazolin-2-amine;bis(tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(methylamino)ethyl]carbamate;tert-butyl N-[2-[methyl-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]amino]ethyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 1-[4-[[2-aminoethyl(methyl)amino]methyl]-3-(trifluoromethyl)phenyl]-3-[5-(2-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]urea;[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]quinazolin-6-yl]boronic acid;(E)-3-bromo-3-(methylamino)prop-2-enimidamide;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;6-bromoquinazolin-2-amine;bis(tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(methylamino)ethyl]carbamate;tert-butyl N-[2-[methyl-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]amino]ethyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 1-[4-[[2-aminoethyl(methyl)amino]methyl]-3-(trifluoromethyl)phenyl]-3-[5-(2-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]urea;[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]quinazolin-6-yl]boronic acid;(E)-3-bromo-3-(methylamino)prop-2-enimidamide;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;6-bromoquinazolin-2-amine;bis(tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(methylamino)ethyl]carbamate;tert-butyl N-[2-[methyl-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]amino]ethyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc2cc(B(O)O)ccc2n1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc2cc(Br)ccc2n1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN(CCN)Cc1ccc(NC(=O)Nc2cc(-c3ccc4nc(N)ncc4c3)n(C)n2)cc1C(F)(F)F.CN(CCNC(=O)OC(C)(C)C)Cc1ccc(N)cc1C(F)(F)F.CN(CCNC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1C(F)(F)F.CNCCNC(=O)OC(C)(C)C.Cn1nc(N)cc1-c1ccc2nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncc2c1.Cn1nc(N)cc1-c1ccc2nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncc2c1.Nc1ncc2cc(Br)ccc2n1.O=[N+]([O-])c1ccc(CBr)c(C(F)(F)F)c1.[H]/N=C(N)/C=C(/Br)NC.
What is the InChIKey of 1-[4-[[2-aminoethyl(methyl)amino]methyl]-3-(trifluoromethyl)phenyl]-3-[5-(2-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]urea;[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]quinazolin-6-yl]boronic acid;(E)-3-bromo-3-(methylamino)prop-2-enimidamide;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;6-bromoquinazolin-2-amine;bis(tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(methylamino)ethyl]carbamate;tert-butyl N-[2-[methyl-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]amino]ethyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is RKSJYFTUPCVMAZ-MVCBMMKGSA-N. The full InChI is InChI=1S/C24H26F3N9O.2C22H28N6O4.C18H24BN3O6.C18H22BrN3O4.C16H22F3N3O4.C16H24F3N3O2.C12H24B2O4.C10H18O5.C8H5BrF3NO2.C8H6BrN3.C8H18N2O2.C4H8BrN3/c1-35(8-7-28)13-15-3-5-17(10-18(15)24(25,26)27)31-23(37)33-21-11-20(36(2)34-21)14-4-6-19-16(9-14)12-30-22(29)32-19;2*1-21(2,3)31-19(29)28(20(30)32-22(4,5)6)18-24-12-14-10-13(8-9-15(14)25-18)16-11-17(23)26-27(16)7;1-17(2,3)27-15(23)22(16(24)28-18(4,5)6)14-20-10-11-9-12(19(25)26)7-8-13(11)21-14;1-17(2,3)25-15(23)22(16(24)26-18(4,5)6)14-20-10-11-9-12(19)7-8-13(11)21-14;1-15(2,3)26-14(23)20-7-8-21(4)10-11-5-6-12(22(24)25)9-13(11)16(17,18)19;1-15(2,3)24-14(23)21-7-8-22(4)10-11-5-6-12(20)9-13(11)16(17,18)19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;9-4-5-1-2-6(13(14)15)3-7(5)8(10,11)12;9-6-1-2-7-5(3-6)4-11-8(10)12-7;1-8(2,3)12-7(11)10-6-5-9-4;1-8-3(5)2-4(6)7/h3-6,9-12H,7-8,13,28H2,1-2H3,(H2,29,30,32)(H2,31,33,34,37);2*8-12H,1-7H3,(H2,23,26);7-10,25-26H,1-6H3;7-10H,1-6H3;5-6,9H,7-8,10H2,1-4H3,(H,20,23);5-6,9H,7-8,10,20H2,1-4H3,(H,21,23);1-8H3;1-6H3;1-3H,4H2;1-4H,(H2,10,11,12);9H,5-6H2,1-4H3,(H,10,11);2,8H,1H3,(H3,6,7)/b;;;;;;;;;;;;3-2-.
What are the key properties of 1-[4-[[2-aminoethyl(methyl)amino]methyl]-3-(trifluoromethyl)phenyl]-3-[5-(2-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]urea;[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]quinazolin-6-yl]boronic acid;(E)-3-bromo-3-(methylamino)prop-2-enimidamide;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;6-bromoquinazolin-2-amine;bis(tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(methylamino)ethyl]carbamate;tert-butyl N-[2-[methyl-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]amino]ethyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
1-[4-[[2-aminoethyl(methyl)amino]methyl]-3-(trifluoromethyl)phenyl]-3-[5-(2-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]urea;[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]quinazolin-6-yl]boronic acid;(E)-3-bromo-3-(methylamino)prop-2-enimidamide;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;6-bromoquinazolin-2-amine;bis(tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(methylamino)ethyl]carbamate;tert-butyl N-[2-[methyl-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]amino]ethyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 4265.35 g/mol, XLogP of 37.83, 33 rotatable bonds, 17 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-aminoethyl(methyl)amino]methyl]-3-(trifluoromethyl)phenyl]-3-[5-(2-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]urea;[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]quinazolin-6-yl]boronic acid;(E)-3-bromo-3-(methylamino)prop-2-enimidamide;1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene;6-bromoquinazolin-2-amine;bis(tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate);tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(methylamino)ethyl]carbamate;tert-butyl N-[2-[methyl-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]amino]ethyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 160653421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).