N-(3-acetamido-5-chlorophenyl)-1-(3-tert-butyl-4-methoxyphenyl)-5-methylpyrazole-4-carboxamide;N-(3-acetamido-5-chlorophenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)pyrazole-4-carboxamide;1-[2-[[6-(4-tert-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-(2-chloro-6-methylphenyl)ethanone;7-[3-(4-tert-butylpiperazin-1-yl)propoxy]-N-(2,4-dichloro-5-methoxyphenyl)-3-ethynyl-6-methoxyquinolin-4-amine;[2-[[2-[[4-(1-tert-butylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]methyl]-5-chloropyrimidin-4-yl]methyl]phenyl]-methylidene-oxo-propan-2-yl-λ6-sulfane;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]quinazolin-4-amine

C162H199Cl6FN26O14S2 — CID 165110396

IUPACN-(3-acetamido-5-chlorophenyl)-1-(3-tert-butyl-4-methoxyphenyl)-5-methylpyrazole-4-carboxamide;N-(3-acetamido-5-chlorophenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)pyrazole-4-carboxamide;1-[2-[[6-(4-tert-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-(2-chloro-6-methylphenyl)ethanone;7-[3-(4-tert-butylpiperazin-1-yl)propoxy]-N-(2,4-dichloro-5-methoxyphenyl)-3-ethynyl-6-methoxyquinolin-4-amine;[2-[[2-[[4-(1-tert-butylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]methyl]-5-chloropyrimidin-4-yl]methyl]phenyl]-methylidene-oxo-propan-2-yl-λ6-sulfane;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]quinazolin-4-amine
SMILESC#Cc1cnc2cc(OCCCN3CCN(C(C)(C)C)CC3)c(OC)cc2c1Nc1cc(OC)c(Cl)cc1Cl.C=S(=O)(c1ccccc1Cc1nc(Cc2cc(C)c(C3CCN(C(C)(C)C)CC3)cc2OC(C)C)ncc1Cl)C(C)C.CC(=O)Nc1cc(Cl)cc(NC(=O)c2cnn(-c3ccc(OC(C)C)cc3)c2C)c1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCN(C(C)C)CC1.COc1ccc(-n2ncc(C(=O)Nc3cc(Cl)cc(NC(C)=O)c3)c2C)cc1C(C)(C)C.Cc1nc(Nc2ncc(C(=O)Cc3c(C)cccc3Cl)s2)cc(N2CCN(C(C)(C)C)CC2)n1
InChIInChI=1S/C35H48ClN3O2S.C30H36Cl2N4O3.C26H34FN5O2.C25H31ClN6OS.C24H27ClN4O3.C22H23ClN4O3/c1-23(2)41-32-21-29(26-14-16-39(17-15-26)35(6,7)8)25(5)18-28(32)20-34-37-22-30(36)31(38-34)19-27-12-10-11-13-33(27)42(9,40)24(3)4;1-7-20-19-33-24-17-28(39-14-8-9-35-10-12-36(13-11-35)30(2,3)4)27(38-6)15-21(24)29(20)34-25-18-26(37-5)23(32)16-22(25)31;1-18(2)32-11-9-31(10-12-32)8-5-13-34-25-15-21-23(16-24(25)33-4)28-17-29-26(21)30-20-6-7-22(27)19(3)14-20;1-16-7-6-8-19(26)18(16)13-20(33)21-15-27-24(34-21)30-22-14-23(29-17(2)28-22)31-9-11-32(12-10-31)25(3,4)5;1-14-20(23(31)28-18-10-16(25)9-17(11-18)27-15(2)30)13-26-29(14)19-7-8-22(32-6)21(12-19)24(3,4)5;1-13(2)30-20-7-5-19(6-8-20)27-14(3)21(12-24-27)22(29)26-18-10-16(23)9-17(11-18)25-15(4)28/h10-13,18,21-24,26H,9,14-17,19-20H2,1-8H3;1,15-19H,8-14H2,2-6H3,(H,33,34);6-7,14-18H,5,8-13H2,1-4H3,(H,28,29,30);6-8,14-15H,9-13H2,1-5H3,(H,27,28,29,30);7-13H,1-6H3,(H,27,30)(H,28,31);5-13H,1-4H3,(H,25,28)(H,26,29)
InChIKeyZVTXFFFYGKXGHC-UHFFFAOYSA-N
MW3030.39 g/mol
LogP34.44
Rot. Bonds44

About N-(3-acetamido-5-chlorophenyl)-1-(3-tert-butyl-4-methoxyphenyl)-5-methylpyrazole-4-carboxamide;N-(3-acetamido-5-chlorophenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)pyrazole-4-carboxamide;1-[2-[[6-(4-tert-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-(2-chloro-6-methylphenyl)ethanone;7-[3-(4-tert-butylpiperazin-1-yl)propoxy]-N-(2,4-dichloro-5-methoxyphenyl)-3-ethynyl-6-methoxyquinolin-4-amine;[2-[[2-[[4-(1-tert-butylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]methyl]-5-chloropyrimidin-4-yl]methyl]phenyl]-methylidene-oxo-propan-2-yl-λ6-sulfane;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]quinazolin-4-amine

N-(3-acetamido-5-chlorophenyl)-1-(3-tert-butyl-4-methoxyphenyl)-5-methylpyrazole-4-carboxamide;N-(3-acetamido-5-chlorophenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)pyrazole-4-carboxamide;1-[2-[[6-(4-tert-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-(2-chloro-6-methylphenyl)ethanone;7-[3-(4-tert-butylpiperazin-1-yl)propoxy]-N-(2,4-dichloro-5-methoxyphenyl)-3-ethynyl-6-methoxyquinolin-4-amine;[2-[[2-[[4-(1-tert-butylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]methyl]-5-chloropyrimidin-4-yl]methyl]phenyl]-methylidene-oxo-propan-2-yl-λ6-sulfane;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]quinazolin-4-amine (PubChem CID 165110396) has the molecular formula C162H199Cl6FN26O14S2 and a molecular weight of 3030.39 g/mol. Its IUPAC name is N-(3-acetamido-5-chlorophenyl)-1-(3-tert-butyl-4-methoxyphenyl)-5-methylpyrazole-4-carboxamide;N-(3-acetamido-5-chlorophenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)pyrazole-4-carboxamide;1-[2-[[6-(4-tert-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-(2-chloro-6-methylphenyl)ethanone;7-[3-(4-tert-butylpiperazin-1-yl)propoxy]-N-(2,4-dichloro-5-methoxyphenyl)-3-ethynyl-6-methoxyquinolin-4-amine;[2-[[2-[[4-(1-tert-butylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]methyl]-5-chloropyrimidin-4-yl]methyl]phenyl]-methylidene-oxo-propan-2-yl-λ6-sulfane;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-acetamido-5-chlorophenyl)-1-(3-tert-butyl-4-methoxyphenyl)-5-methylpyrazole-4-carboxamide;N-(3-acetamido-5-chlorophenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)pyrazole-4-carboxamide;1-[2-[[6-(4-tert-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-(2-chloro-6-methylphenyl)ethanone;7-[3-(4-tert-butylpiperazin-1-yl)propoxy]-N-(2,4-dichloro-5-methoxyphenyl)-3-ethynyl-6-methoxyquinolin-4-amine;[2-[[2-[[4-(1-tert-butylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]methyl]-5-chloropyrimidin-4-yl]methyl]phenyl]-methylidene-oxo-propan-2-yl-λ6-sulfane;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]quinazolin-4-amine
PubChem CID165110396
Molecular FormulaC162H199Cl6FN26O14S2
Molecular Weight3030.39 g/mol
Exact Mass3025.32
IUPAC NameN-(3-acetamido-5-chlorophenyl)-1-(3-tert-butyl-4-methoxyphenyl)-5-methylpyrazole-4-carboxamide;N-(3-acetamido-5-chlorophenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)pyrazole-4-carboxamide;1-[2-[[6-(4-tert-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-(2-chloro-6-methylphenyl)ethanone;7-[3-(4-tert-butylpiperazin-1-yl)propoxy]-N-(2,4-dichloro-5-methoxyphenyl)-3-ethynyl-6-methoxyquinolin-4-amine;[2-[[2-[[4-(1-tert-butylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]methyl]-5-chloropyrimidin-4-yl]methyl]phenyl]-methylidene-oxo-propan-2-yl-λ6-sulfane;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]quinazolin-4-amine
SMILESC#Cc1cnc2cc(OCCCN3CCN(C(C)(C)C)CC3)c(OC)cc2c1Nc1cc(OC)c(Cl)cc1Cl.C=S(=O)(c1ccccc1Cc1nc(Cc2cc(C)c(C3CCN(C(C)(C)C)CC3)cc2OC(C)C)ncc1Cl)C(C)C.CC(=O)Nc1cc(Cl)cc(NC(=O)c2cnn(-c3ccc(OC(C)C)cc3)c2C)c1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCN(C(C)C)CC1.COc1ccc(-n2ncc(C(=O)Nc3cc(Cl)cc(NC(C)=O)c3)c2C)cc1C(C)(C)C.Cc1nc(Nc2ncc(C(=O)Cc3c(C)cccc3Cl)s2)cc(N2CCN(C(C)(C)C)CC2)n1
InChIInChI=1S/C35H48ClN3O2S.C30H36Cl2N4O3.C26H34FN5O2.C25H31ClN6OS.C24H27ClN4O3.C22H23ClN4O3/c1-23(2)41-32-21-29(26-14-16-39(17-15-26)35(6,7)8)25(5)18-28(32)20-34-37-22-30(36)31(38-34)19-27-12-10-11-13-33(27)42(9,40)24(3)4;1-7-20-19-33-24-17-28(39-14-8-9-35-10-12-36(13-11-35)30(2,3)4)27(38-6)15-21(24)29(20)34-25-18-26(37-5)23(32)16-22(25)31;1-18(2)32-11-9-31(10-12-32)8-5-13-34-25-15-21-23(16-24(25)33-4)28-17-29-26(21)30-20-6-7-22(27)19(3)14-20;1-16-7-6-8-19(26)18(16)13-20(33)21-15-27-24(34-21)30-22-14-23(29-17(2)28-22)31-9-11-32(12-10-31)25(3,4)5;1-14-20(23(31)28-18-10-16(25)9-17(11-18)27-15(2)30)13-26-29(14)19-7-8-22(32-6)21(12-19)24(3,4)5;1-13(2)30-20-7-5-19(6-8-20)27-14(3)21(12-24-27)22(29)26-18-10-16(23)9-17(11-18)25-15(4)28/h10-13,18,21-24,26H,9,14-17,19-20H2,1-8H3;1,15-19H,8-14H2,2-6H3,(H,33,34);6-7,14-18H,5,8-13H2,1-4H3,(H,28,29,30);6-8,14-15H,9-13H2,1-5H3,(H,27,28,29,30);7-13H,1-6H3,(H,27,30)(H,28,31);5-13H,1-4H3,(H,25,28)(H,26,29)
InChIKeyZVTXFFFYGKXGHC-UHFFFAOYSA-N
XLogP34.44
TPSA421.91 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds44
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003030.39
LogP ≤ 534.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(3-acetamido-5-chlorophenyl)-1-(3-tert-butyl-4-methoxyphenyl)-5-methylpyrazole-4-carboxamide;N-(3-acetamido-5-chlorophenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)pyrazole-4-carboxamide;1-[2-[[6-(4-tert-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-(2-chloro-6-methylphenyl)ethanone;7-[3-(4-tert-butylpiperazin-1-yl)propoxy]-N-(2,4-dichloro-5-methoxyphenyl)-3-ethynyl-6-methoxyquinolin-4-amine;[2-[[2-[[4-(1-tert-butylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]methyl]-5-chloropyrimidin-4-yl]methyl]phenyl]-methylidene-oxo-propan-2-yl-λ6-sulfane;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]quinazolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-5-chlorophenyl)-1-(3-tert-butyl-4-methoxyphenyl)-5-methylpyrazole-4-carboxamide;N-(3-acetamido-5-chlorophenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)pyrazole-4-carboxamide;1-[2-[[6-(4-tert-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-(2-chloro-6-methylphenyl)ethanone;7-[3-(4-tert-butylpiperazin-1-yl)propoxy]-N-(2,4-dichloro-5-methoxyphenyl)-3-ethynyl-6-methoxyquinolin-4-amine;[2-[[2-[[4-(1-tert-butylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]methyl]-5-chloropyrimidin-4-yl]methyl]phenyl]-methylidene-oxo-propan-2-yl-λ6-sulfane;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]quinazolin-4-amine?
The IUPAC name of N-(3-acetamido-5-chlorophenyl)-1-(3-tert-butyl-4-methoxyphenyl)-5-methylpyrazole-4-carboxamide;N-(3-acetamido-5-chlorophenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)pyrazole-4-carboxamide;1-[2-[[6-(4-tert-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-(2-chloro-6-methylphenyl)ethanone;7-[3-(4-tert-butylpiperazin-1-yl)propoxy]-N-(2,4-dichloro-5-methoxyphenyl)-3-ethynyl-6-methoxyquinolin-4-amine;[2-[[2-[[4-(1-tert-butylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]methyl]-5-chloropyrimidin-4-yl]methyl]phenyl]-methylidene-oxo-propan-2-yl-λ6-sulfane;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]quinazolin-4-amine (CID 165110396) is N-(3-acetamido-5-chlorophenyl)-1-(3-tert-butyl-4-methoxyphenyl)-5-methylpyrazole-4-carboxamide;N-(3-acetamido-5-chlorophenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)pyrazole-4-carboxamide;1-[2-[[6-(4-tert-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-(2-chloro-6-methylphenyl)ethanone;7-[3-(4-tert-butylpiperazin-1-yl)propoxy]-N-(2,4-dichloro-5-methoxyphenyl)-3-ethynyl-6-methoxyquinolin-4-amine;[2-[[2-[[4-(1-tert-butylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]methyl]-5-chloropyrimidin-4-yl]methyl]phenyl]-methylidene-oxo-propan-2-yl-λ6-sulfane;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]quinazolin-4-amine.
What is the SMILES notation for N-(3-acetamido-5-chlorophenyl)-1-(3-tert-butyl-4-methoxyphenyl)-5-methylpyrazole-4-carboxamide;N-(3-acetamido-5-chlorophenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)pyrazole-4-carboxamide;1-[2-[[6-(4-tert-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-(2-chloro-6-methylphenyl)ethanone;7-[3-(4-tert-butylpiperazin-1-yl)propoxy]-N-(2,4-dichloro-5-methoxyphenyl)-3-ethynyl-6-methoxyquinolin-4-amine;[2-[[2-[[4-(1-tert-butylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]methyl]-5-chloropyrimidin-4-yl]methyl]phenyl]-methylidene-oxo-propan-2-yl-λ6-sulfane;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]quinazolin-4-amine?
The canonical SMILES for N-(3-acetamido-5-chlorophenyl)-1-(3-tert-butyl-4-methoxyphenyl)-5-methylpyrazole-4-carboxamide;N-(3-acetamido-5-chlorophenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)pyrazole-4-carboxamide;1-[2-[[6-(4-tert-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-(2-chloro-6-methylphenyl)ethanone;7-[3-(4-tert-butylpiperazin-1-yl)propoxy]-N-(2,4-dichloro-5-methoxyphenyl)-3-ethynyl-6-methoxyquinolin-4-amine;[2-[[2-[[4-(1-tert-butylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]methyl]-5-chloropyrimidin-4-yl]methyl]phenyl]-methylidene-oxo-propan-2-yl-λ6-sulfane;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]quinazolin-4-amine is C#Cc1cnc2cc(OCCCN3CCN(C(C)(C)C)CC3)c(OC)cc2c1Nc1cc(OC)c(Cl)cc1Cl.C=S(=O)(c1ccccc1Cc1nc(Cc2cc(C)c(C3CCN(C(C)(C)C)CC3)cc2OC(C)C)ncc1Cl)C(C)C.CC(=O)Nc1cc(Cl)cc(NC(=O)c2cnn(-c3ccc(OC(C)C)cc3)c2C)c1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCN(C(C)C)CC1.COc1ccc(-n2ncc(C(=O)Nc3cc(Cl)cc(NC(C)=O)c3)c2C)cc1C(C)(C)C.Cc1nc(Nc2ncc(C(=O)Cc3c(C)cccc3Cl)s2)cc(N2CCN(C(C)(C)C)CC2)n1.
What is the InChIKey of N-(3-acetamido-5-chlorophenyl)-1-(3-tert-butyl-4-methoxyphenyl)-5-methylpyrazole-4-carboxamide;N-(3-acetamido-5-chlorophenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)pyrazole-4-carboxamide;1-[2-[[6-(4-tert-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-(2-chloro-6-methylphenyl)ethanone;7-[3-(4-tert-butylpiperazin-1-yl)propoxy]-N-(2,4-dichloro-5-methoxyphenyl)-3-ethynyl-6-methoxyquinolin-4-amine;[2-[[2-[[4-(1-tert-butylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]methyl]-5-chloropyrimidin-4-yl]methyl]phenyl]-methylidene-oxo-propan-2-yl-λ6-sulfane;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]quinazolin-4-amine?
The InChIKey is ZVTXFFFYGKXGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48ClN3O2S.C30H36Cl2N4O3.C26H34FN5O2.C25H31ClN6OS.C24H27ClN4O3.C22H23ClN4O3/c1-23(2)41-32-21-29(26-14-16-39(17-15-26)35(6,7)8)25(5)18-28(32)20-34-37-22-30(36)31(38-34)19-27-12-10-11-13-33(27)42(9,40)24(3)4;1-7-20-19-33-24-17-28(39-14-8-9-35-10-12-36(13-11-35)30(2,3)4)27(38-6)15-21(24)29(20)34-25-18-26(37-5)23(32)16-22(25)31;1-18(2)32-11-9-31(10-12-32)8-5-13-34-25-15-21-23(16-24(25)33-4)28-17-29-26(21)30-20-6-7-22(27)19(3)14-20;1-16-7-6-8-19(26)18(16)13-20(33)21-15-27-24(34-21)30-22-14-23(29-17(2)28-22)31-9-11-32(12-10-31)25(3,4)5;1-14-20(23(31)28-18-10-16(25)9-17(11-18)27-15(2)30)13-26-29(14)19-7-8-22(32-6)21(12-19)24(3,4)5;1-13(2)30-20-7-5-19(6-8-20)27-14(3)21(12-24-27)22(29)26-18-10-16(23)9-17(11-18)25-15(4)28/h10-13,18,21-24,26H,9,14-17,19-20H2,1-8H3;1,15-19H,8-14H2,2-6H3,(H,33,34);6-7,14-18H,5,8-13H2,1-4H3,(H,28,29,30);6-8,14-15H,9-13H2,1-5H3,(H,27,28,29,30);7-13H,1-6H3,(H,27,30)(H,28,31);5-13H,1-4H3,(H,25,28)(H,26,29).
What are the key properties of N-(3-acetamido-5-chlorophenyl)-1-(3-tert-butyl-4-methoxyphenyl)-5-methylpyrazole-4-carboxamide;N-(3-acetamido-5-chlorophenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)pyrazole-4-carboxamide;1-[2-[[6-(4-tert-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-(2-chloro-6-methylphenyl)ethanone;7-[3-(4-tert-butylpiperazin-1-yl)propoxy]-N-(2,4-dichloro-5-methoxyphenyl)-3-ethynyl-6-methoxyquinolin-4-amine;[2-[[2-[[4-(1-tert-butylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]methyl]-5-chloropyrimidin-4-yl]methyl]phenyl]-methylidene-oxo-propan-2-yl-λ6-sulfane;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]quinazolin-4-amine?
N-(3-acetamido-5-chlorophenyl)-1-(3-tert-butyl-4-methoxyphenyl)-5-methylpyrazole-4-carboxamide;N-(3-acetamido-5-chlorophenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)pyrazole-4-carboxamide;1-[2-[[6-(4-tert-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-(2-chloro-6-methylphenyl)ethanone;7-[3-(4-tert-butylpiperazin-1-yl)propoxy]-N-(2,4-dichloro-5-methoxyphenyl)-3-ethynyl-6-methoxyquinolin-4-amine;[2-[[2-[[4-(1-tert-butylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]methyl]-5-chloropyrimidin-4-yl]methyl]phenyl]-methylidene-oxo-propan-2-yl-λ6-sulfane;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]quinazolin-4-amine has a molecular weight of 3030.39 g/mol, XLogP of 34.44, 44 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-5-chlorophenyl)-1-(3-tert-butyl-4-methoxyphenyl)-5-methylpyrazole-4-carboxamide;N-(3-acetamido-5-chlorophenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)pyrazole-4-carboxamide;1-[2-[[6-(4-tert-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-(2-chloro-6-methylphenyl)ethanone;7-[3-(4-tert-butylpiperazin-1-yl)propoxy]-N-(2,4-dichloro-5-methoxyphenyl)-3-ethynyl-6-methoxyquinolin-4-amine;[2-[[2-[[4-(1-tert-butylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]methyl]-5-chloropyrimidin-4-yl]methyl]phenyl]-methylidene-oxo-propan-2-yl-λ6-sulfane;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]quinazolin-4-amine is sourced from PubChem (CID 165110396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).