1-[5-(4-amino-2-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-(4-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea

C164H176F18N46O6 — CID 158655829

IUPAC1-[5-(4-amino-2-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-(4-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
SMILESCN1CCN(Cc2ccc(NC(=O)Nc3cc(-c4ccc5ccncc5c4)n(C)n3)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(NC(=O)Nc3cc(-c4ccc5ncnc(N)c5c4)n(C)n3)cc2C(F)(F)F)CC1.Cc1cc2ccc(-c3cc(CC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)cc2cn1.Cc1nc(N)c2cc(-c3cc(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)ccc2n1.Cc1ncc2cc(-c3cc(CC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)ccc2n1.Cc1ncc2cc(-c3cc(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)ccc2n1
InChIInChI=1S/C29H31F3N6O.C28H30F3N7O.C27H30F3N9O.C27H29F3N8O.C27H28F3N7O.C26H28F3N9O/c1-19-12-20-4-5-21(13-23(20)17-33-19)27-15-25(35-37(27)3)16-28(39)34-24-7-6-22(26(14-24)29(30,31)32)18-38-10-8-36(2)9-11-38;1-18-32-16-21-12-19(5-7-25(21)33-18)26-14-23(35-37(26)3)15-27(39)34-22-6-4-20(24(13-22)28(29,30)31)17-38-10-8-36(2)9-11-38;1-16-32-22-7-5-17(12-20(22)25(31)33-16)23-14-24(36-38(23)3)35-26(40)34-19-6-4-18(21(13-19)27(28,29)30)15-39-10-8-37(2)9-11-39;1-17-31-15-20-12-18(5-7-23(20)32-17)24-14-25(35-37(24)3)34-26(39)33-21-6-4-19(22(13-21)27(28,29)30)16-38-10-8-36(2)9-11-38;1-35-9-11-37(12-10-35)17-20-5-6-22(14-23(20)27(28,29)30)32-26(38)33-25-15-24(36(2)34-25)19-4-3-18-7-8-31-16-21(18)13-19;1-36-7-9-38(10-8-36)14-17-3-5-18(12-20(17)26(27,28)29)33-25(39)34-23-13-22(37(2)35-23)16-4-6-21-19(11-16)24(30)32-15-31-21/h4-7,12-15,17H,8-11,16,18H2,1-3H3,(H,34,39);4-7,12-14,16H,8-11,15,17H2,1-3H3,(H,34,39);4-7,12-14H,8-11,15H2,1-3H3,(H2,31,32,33)(H2,34,35,36,40);4-7,12-15H,8-11,16H2,1-3H3,(H2,33,34,35,39);3-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,38);3-6,11-13,15H,7-10,14H2,1-2H3,(H2,30,31,32)(H2,33,34,35,39)
InChIKeyICCWVCCGICQMFH-UHFFFAOYSA-N
MW3229.49 g/mol
LogP27.33
Rot. Bonds32

About 1-[5-(4-amino-2-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-(4-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea

1-[5-(4-amino-2-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-(4-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea (PubChem CID 158655829) has the molecular formula C164H176F18N46O6 and a molecular weight of 3229.49 g/mol. Its IUPAC name is 1-[5-(4-amino-2-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-(4-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[5-(4-amino-2-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-(4-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
PubChem CID158655829
Molecular FormulaC164H176F18N46O6
Molecular Weight3229.49 g/mol
Exact Mass3227.46
IUPAC Name1-[5-(4-amino-2-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-(4-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
SMILESCN1CCN(Cc2ccc(NC(=O)Nc3cc(-c4ccc5ccncc5c4)n(C)n3)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(NC(=O)Nc3cc(-c4ccc5ncnc(N)c5c4)n(C)n3)cc2C(F)(F)F)CC1.Cc1cc2ccc(-c3cc(CC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)cc2cn1.Cc1nc(N)c2cc(-c3cc(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)ccc2n1.Cc1ncc2cc(-c3cc(CC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)ccc2n1.Cc1ncc2cc(-c3cc(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)ccc2n1
InChIInChI=1S/C29H31F3N6O.C28H30F3N7O.C27H30F3N9O.C27H29F3N8O.C27H28F3N7O.C26H28F3N9O/c1-19-12-20-4-5-21(13-23(20)17-33-19)27-15-25(35-37(27)3)16-28(39)34-24-7-6-22(26(14-24)29(30,31)32)18-38-10-8-36(2)9-11-38;1-18-32-16-21-12-19(5-7-25(21)33-18)26-14-23(35-37(26)3)15-27(39)34-22-6-4-20(24(13-22)28(29,30)31)17-38-10-8-36(2)9-11-38;1-16-32-22-7-5-17(12-20(22)25(31)33-16)23-14-24(36-38(23)3)35-26(40)34-19-6-4-18(21(13-19)27(28,29)30)15-39-10-8-37(2)9-11-39;1-17-31-15-20-12-18(5-7-23(20)32-17)24-14-25(35-37(24)3)34-26(39)33-21-6-4-19(22(13-21)27(28,29)30)16-38-10-8-36(2)9-11-38;1-35-9-11-37(12-10-35)17-20-5-6-22(14-23(20)27(28,29)30)32-26(38)33-25-15-24(36(2)34-25)19-4-3-18-7-8-31-16-21(18)13-19;1-36-7-9-38(10-8-36)14-17-3-5-18(12-20(17)26(27,28)29)33-25(39)34-23-13-22(37(2)35-23)16-4-6-21-19(11-16)24(30)32-15-31-21/h4-7,12-15,17H,8-11,16,18H2,1-3H3,(H,34,39);4-7,12-14,16H,8-11,15,17H2,1-3H3,(H,34,39);4-7,12-14H,8-11,15H2,1-3H3,(H2,31,32,33)(H2,34,35,36,40);4-7,12-15H,8-11,16H2,1-3H3,(H2,33,34,35,39);3-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,38);3-6,11-13,15H,7-10,14H2,1-2H3,(H2,30,31,32)(H2,33,34,35,39)
InChIKeyICCWVCCGICQMFH-UHFFFAOYSA-N
XLogP27.33
TPSA549.46 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds32
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003229.49
LogP ≤ 527.33
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Analyze 1-[5-(4-amino-2-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-(4-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]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

5-[1-[5-[3-carbamoyl-1-[2-[2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-4-pyridinyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridazin-3-yl]pyridazin-1-ium-4-yl]-1-[2-[4-fluoro-2-[[2-(5-methyl-3-oxopyrazolidin-1-yl)-3-pyridinyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 123927541
5-[7-(difluoromethyl)-3-[1-[5-[7-(difluoromethyl)-3-[1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-indol-7-yl]ethyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-7-yl]ethyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide
CID 132181501
3-[7-(difluoromethyl)-6-[1-[2-[[3-[6-[1-methyl-5-[[4-[2-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrazol-1-yl]methyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)indazole-5-carbonyl]amino]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)indazole-5-carboxamide
CID 132181733
N-[5-(2-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
CID 134564790
2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-N-[1-methyl-5-[2-(piperidin-4-ylamino)quinazolin-6-yl]pyrazol-3-yl]acetamide
CID 134564818
N-[5-[8-ethyl-2-(methylamino)quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
CID 134576461
N-[5-(2-amino-8-ethylquinazolin-6-yl)-1-methylpyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
CID 134576462
2-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-indol-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N,5-dimethylpyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 138655261
N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
CID 139465068
N-[5-[8-[2-[(4-aminocyclohexyl)amino]ethyl]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
CID 139465070
N-[5-[8-ethyl-2-(methylamino)quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;propane
CID 142369002
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide
CID 156515748

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-amino-2-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-(4-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[5-(4-amino-2-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-(4-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea (CID 158655829) is 1-[5-(4-amino-2-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-(4-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[5-(4-amino-2-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-(4-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[5-(4-amino-2-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-(4-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea is CN1CCN(Cc2ccc(NC(=O)Nc3cc(-c4ccc5ccncc5c4)n(C)n3)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(NC(=O)Nc3cc(-c4ccc5ncnc(N)c5c4)n(C)n3)cc2C(F)(F)F)CC1.Cc1cc2ccc(-c3cc(CC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)cc2cn1.Cc1nc(N)c2cc(-c3cc(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)ccc2n1.Cc1ncc2cc(-c3cc(CC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)ccc2n1.Cc1ncc2cc(-c3cc(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)ccc2n1.
What is the InChIKey of 1-[5-(4-amino-2-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-(4-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea?
The InChIKey is ICCWVCCGICQMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N6O.C28H30F3N7O.C27H30F3N9O.C27H29F3N8O.C27H28F3N7O.C26H28F3N9O/c1-19-12-20-4-5-21(13-23(20)17-33-19)27-15-25(35-37(27)3)16-28(39)34-24-7-6-22(26(14-24)29(30,31)32)18-38-10-8-36(2)9-11-38;1-18-32-16-21-12-19(5-7-25(21)33-18)26-14-23(35-37(26)3)15-27(39)34-22-6-4-20(24(13-22)28(29,30)31)17-38-10-8-36(2)9-11-38;1-16-32-22-7-5-17(12-20(22)25(31)33-16)23-14-24(36-38(23)3)35-26(40)34-19-6-4-18(21(13-19)27(28,29)30)15-39-10-8-37(2)9-11-39;1-17-31-15-20-12-18(5-7-23(20)32-17)24-14-25(35-37(24)3)34-26(39)33-21-6-4-19(22(13-21)27(28,29)30)16-38-10-8-36(2)9-11-38;1-35-9-11-37(12-10-35)17-20-5-6-22(14-23(20)27(28,29)30)32-26(38)33-25-15-24(36(2)34-25)19-4-3-18-7-8-31-16-21(18)13-19;1-36-7-9-38(10-8-36)14-17-3-5-18(12-20(17)26(27,28)29)33-25(39)34-23-13-22(37(2)35-23)16-4-6-21-19(11-16)24(30)32-15-31-21/h4-7,12-15,17H,8-11,16,18H2,1-3H3,(H,34,39);4-7,12-14,16H,8-11,15,17H2,1-3H3,(H,34,39);4-7,12-14H,8-11,15H2,1-3H3,(H2,31,32,33)(H2,34,35,36,40);4-7,12-15H,8-11,16H2,1-3H3,(H2,33,34,35,39);3-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,38);3-6,11-13,15H,7-10,14H2,1-2H3,(H2,30,31,32)(H2,33,34,35,39).
What are the key properties of 1-[5-(4-amino-2-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-(4-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea?
1-[5-(4-amino-2-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-(4-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea has a molecular weight of 3229.49 g/mol, XLogP of 27.33, 32 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-amino-2-methylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-(4-aminoquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;2-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;2-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(2-methylquinazolin-6-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 158655829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).