N-[2-[2-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C136H128Cl4F12N32O14 — CID 162120637

IUPACN-[2-[2-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCC(=O)Nc1cc(Cc2cc3ncnc(N4CCNCC4)c3cc2Cl)cc(NC(=O)c2cnn(-c3ccc(OC)cc3)c2C(F)(F)F)c1.CCC(=O)Nc1cc(NC(=O)c2cnn(-c3ccc(OC)cc3)c2C(F)(F)F)cc(Oc2cc3ncnc(N4CCNCC4)c3cc2Cl)c1.CCC(=O)Nc1ccc(CCc2cc3ncnc(N4CCNCC4)c3cc2Cl)c(NC(=O)c2cnn(-c3ccc(OC)cc3)c2C(F)(F)F)c1.CCC(=O)Nc1ccc(OCc2cc3ncnc(N4CCNCC4)c3cc2Cl)c(NC(=O)c2cnn(-c3ccc(OC)cc3)c2C(F)(F)F)c1
InChIInChI=1S/C35H34ClF3N8O3.C34H32ClF3N8O4.C34H32ClF3N8O3.C33H30ClF3N8O4/c1-3-31(48)44-23-7-6-21(4-5-22-16-30-26(18-28(22)36)33(42-20-41-30)46-14-12-40-13-15-46)29(17-23)45-34(49)27-19-43-47(32(27)35(37,38)39)24-8-10-25(50-2)11-9-24;1-3-30(47)43-21-4-9-29(50-18-20-14-27-24(16-26(20)35)32(41-19-40-27)45-12-10-39-11-13-45)28(15-21)44-33(48)25-17-42-46(31(25)34(36,37)38)22-5-7-23(49-2)8-6-22;1-3-30(47)43-22-13-20(12-21-15-29-26(17-28(21)35)32(41-19-40-29)45-10-8-39-9-11-45)14-23(16-22)44-33(48)27-18-42-46(31(27)34(36,37)38)24-4-6-25(49-2)7-5-24;1-3-29(46)42-19-12-20(43-32(47)25-17-41-45(30(25)33(35,36)37)21-4-6-22(48-2)7-5-21)14-23(13-19)49-28-16-27-24(15-26(28)34)31(40-18-39-27)44-10-8-38-9-11-44/h6-11,16-20,40H,3-5,12-15H2,1-2H3,(H,44,48)(H,45,49);4-9,14-17,19,39H,3,10-13,18H2,1-2H3,(H,43,47)(H,44,48);4-7,13-19,39H,3,8-12H2,1-2H3,(H,43,47)(H,44,48);4-7,12-18,38H,3,8-11H2,1-2H3,(H,42,46)(H,43,47)
InChIKeyZHIZPGFGVCXBAZ-UHFFFAOYSA-N
MW2804.52 g/mol
LogP24.77
Rot. Bonds38

About N-[2-[2-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[2-[2-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 162120637) has the molecular formula C136H128Cl4F12N32O14 and a molecular weight of 2804.52 g/mol. Its IUPAC name is N-[2-[2-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID162120637
Molecular FormulaC136H128Cl4F12N32O14
Molecular Weight2804.52 g/mol
Exact Mass2800.89
IUPAC NameN-[2-[2-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCC(=O)Nc1cc(Cc2cc3ncnc(N4CCNCC4)c3cc2Cl)cc(NC(=O)c2cnn(-c3ccc(OC)cc3)c2C(F)(F)F)c1.CCC(=O)Nc1cc(NC(=O)c2cnn(-c3ccc(OC)cc3)c2C(F)(F)F)cc(Oc2cc3ncnc(N4CCNCC4)c3cc2Cl)c1.CCC(=O)Nc1ccc(CCc2cc3ncnc(N4CCNCC4)c3cc2Cl)c(NC(=O)c2cnn(-c3ccc(OC)cc3)c2C(F)(F)F)c1.CCC(=O)Nc1ccc(OCc2cc3ncnc(N4CCNCC4)c3cc2Cl)c(NC(=O)c2cnn(-c3ccc(OC)cc3)c2C(F)(F)F)c1
InChIInChI=1S/C35H34ClF3N8O3.C34H32ClF3N8O4.C34H32ClF3N8O3.C33H30ClF3N8O4/c1-3-31(48)44-23-7-6-21(4-5-22-16-30-26(18-28(22)36)33(42-20-41-30)46-14-12-40-13-15-46)29(17-23)45-34(49)27-19-43-47(32(27)35(37,38)39)24-8-10-25(50-2)11-9-24;1-3-30(47)43-21-4-9-29(50-18-20-14-27-24(16-26(20)35)32(41-19-40-27)45-12-10-39-11-13-45)28(15-21)44-33(48)25-17-42-46(31(25)34(36,37)38)22-5-7-23(49-2)8-6-22;1-3-30(47)43-22-13-20(12-21-15-29-26(17-28(21)35)32(41-19-40-29)45-10-8-39-9-11-45)14-23(16-22)44-33(48)27-18-42-46(31(27)34(36,37)38)24-4-6-25(49-2)7-5-24;1-3-29(46)42-19-12-20(43-32(47)25-17-41-45(30(25)33(35,36)37)21-4-6-22(48-2)7-5-21)14-23(13-19)49-28-16-27-24(15-26(28)34)31(40-18-39-27)44-10-8-38-9-11-44/h6-11,16-20,40H,3-5,12-15H2,1-2H3,(H,44,48)(H,45,49);4-9,14-17,19,39H,3,10-13,18H2,1-2H3,(H,43,47)(H,44,48);4-7,13-19,39H,3,8-12H2,1-2H3,(H,43,47)(H,44,48);4-7,12-18,38H,3,8-11H2,1-2H3,(H,42,46)(H,43,47)
InChIKeyZHIZPGFGVCXBAZ-UHFFFAOYSA-N
XLogP24.77
TPSA523.66 Ų
H-Bond Donors12
H-Bond Acceptors38
Rotatable Bonds38
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002804.52
LogP ≤ 524.77
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1038

Analyze N-[2-[2-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide 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

N-[3-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146544263
N-[2-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146544264
N-[3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146544556
N-[2-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146544557
N-[2-[2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 158963700
6-chloro-7-[5-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methoxy]-1H-indazol-4-yl]-4-piperazin-1-ylquinazoline;N-[4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propyl]-1H-indazol-5-amine
CID 159585660
1-[4-[6-chloro-7-[5-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methoxy]-1H-indazol-4-yl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[5-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propylamino]-1H-indazol-4-yl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N-[4-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 159635635
1-[4-[6-chloro-7-[5-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methoxy]-1H-indazol-4-yl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[5-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propylamino]-1H-indazol-4-yl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N-[4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;4-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propyl]-1H-indazol-5-amine;N-[4-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 160709508
6-chloro-7-methoxy-3-propan-2-yl-1,2-dihydroquinoline;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;4,5-dichloro-2-propan-2-ylpyridine;1-(4-fluoro-3-methylphenyl)-4-propan-2-ylimidazole;2-(4-fluoro-3-methylphenyl)-5-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-6-propan-2-ylpyridazine;1-(4-fluoro-3-methylphenyl)-3-propan-2-yl-1,2,4-triazole;5-phenoxy-2-propan-2-ylpyridine;4-propan-2-yl-1-[4-(trifluoromethyl)phenyl]triazole
CID 161559894
6-chloro-7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[4,3-d]pyrimidin-2-one
CID 165004446
bis(1-[4-[8-[(5-chloro-1H-indazol-4-yl)oxy]-6-methylpyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one);1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 157153867

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-[2-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 162120637) is N-[2-[2-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is CCC(=O)Nc1cc(Cc2cc3ncnc(N4CCNCC4)c3cc2Cl)cc(NC(=O)c2cnn(-c3ccc(OC)cc3)c2C(F)(F)F)c1.CCC(=O)Nc1cc(NC(=O)c2cnn(-c3ccc(OC)cc3)c2C(F)(F)F)cc(Oc2cc3ncnc(N4CCNCC4)c3cc2Cl)c1.CCC(=O)Nc1ccc(CCc2cc3ncnc(N4CCNCC4)c3cc2Cl)c(NC(=O)c2cnn(-c3ccc(OC)cc3)c2C(F)(F)F)c1.CCC(=O)Nc1ccc(OCc2cc3ncnc(N4CCNCC4)c3cc2Cl)c(NC(=O)c2cnn(-c3ccc(OC)cc3)c2C(F)(F)F)c1.
What is the InChIKey of N-[2-[2-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ZHIZPGFGVCXBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34ClF3N8O3.C34H32ClF3N8O4.C34H32ClF3N8O3.C33H30ClF3N8O4/c1-3-31(48)44-23-7-6-21(4-5-22-16-30-26(18-28(22)36)33(42-20-41-30)46-14-12-40-13-15-46)29(17-23)45-34(49)27-19-43-47(32(27)35(37,38)39)24-8-10-25(50-2)11-9-24;1-3-30(47)43-21-4-9-29(50-18-20-14-27-24(16-26(20)35)32(41-19-40-27)45-12-10-39-11-13-45)28(15-21)44-33(48)25-17-42-46(31(25)34(36,37)38)22-5-7-23(49-2)8-6-22;1-3-30(47)43-22-13-20(12-21-15-29-26(17-28(21)35)32(41-19-40-29)45-10-8-39-9-11-45)14-23(16-22)44-33(48)27-18-42-46(31(27)34(36,37)38)24-4-6-25(49-2)7-5-24;1-3-29(46)42-19-12-20(43-32(47)25-17-41-45(30(25)33(35,36)37)21-4-6-22(48-2)7-5-21)14-23(13-19)49-28-16-27-24(15-26(28)34)31(40-18-39-27)44-10-8-38-9-11-44/h6-11,16-20,40H,3-5,12-15H2,1-2H3,(H,44,48)(H,45,49);4-9,14-17,19,39H,3,10-13,18H2,1-2H3,(H,43,47)(H,44,48);4-7,13-19,39H,3,8-12H2,1-2H3,(H,43,47)(H,44,48);4-7,12-18,38H,3,8-11H2,1-2H3,(H,42,46)(H,43,47).
What are the key properties of N-[2-[2-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2-[2-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 2804.52 g/mol, XLogP of 24.77, 38 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[(6-chloro-4-piperazin-1-ylquinazolin-7-yl)methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 162120637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).