1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylmorpholin-4-yl)ethoxy]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;3-chloro-2-methyl-N-(2-methylphenyl)aniline;4-(2,4-difluorophenyl)-2-methylphenol;2-(3,4-dimethylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid;6-fluoro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,3,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,4,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid

C243H252ClF6N25O21 — CID 158870016

IUPAC1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylmorpholin-4-yl)ethoxy]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;3-chloro-2-methyl-N-(2-methylphenyl)aniline;4-(2,4-difluorophenyl)-2-methylphenol;2-(3,4-dimethylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid;6-fluoro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,3,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,4,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid
SMILESCc1cc(-c2ccc(F)cc2F)ccc1O.Cc1cc(C)c(-c2ccc(-c3nc4ccc(F)cc4c(C(=O)O)c3C)cc2)c(C)c1.Cc1ccc(-c2nc3ccc(F)cc3c(C(=O)O)c2C)cc1.Cc1ccc(-c2nc3ccc(F)cc3c(C(=O)O)c2C)cc1C.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOC(C)C3)c3ccccc23)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)c(C)c1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1C.Cc1ccc(C)c(-c2ccc(-c3nc4ccc(F)cc4c(C(=O)O)c3C)cc2)c1C.Cc1ccccc1Nc1cccc(Cl)c1C
InChIInChI=1S/3C32H39N5O3.C31H37N5O3.2C26H22FNO2.C19H16FNO2.C18H14FNO2.C14H14ClN.C13H10F2O/c1-22-10-12-27(23(2)20-22)37-30(21-29(35-37)32(3,4)5)34-31(38)33-26-11-13-28(25-9-7-6-8-24(25)26)40-19-16-36-14-17-39-18-15-36;1-22-10-12-24(13-11-22)37-30(20-29(35-37)32(3,4)5)34-31(38)33-27-14-15-28(26-9-7-6-8-25(26)27)40-19-17-36-16-18-39-23(2)21-36;1-22-10-11-24(20-23(22)2)37-30(21-29(35-37)32(3,4)5)34-31(38)33-27-12-13-28(26-9-7-6-8-25(26)27)40-19-16-36-14-17-39-18-15-36;1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35;1-14-11-15(2)23(16(3)12-14)18-5-7-19(8-6-18)25-17(4)24(26(29)30)21-13-20(27)9-10-22(21)28-25;1-14-5-6-15(2)23(16(14)3)18-7-9-19(10-8-18)25-17(4)24(26(29)30)21-13-20(27)11-12-22(21)28-25;1-10-4-5-13(8-11(10)2)18-12(3)17(19(22)23)15-9-14(20)6-7-16(15)21-18;1-10-3-5-12(6-4-10)17-11(2)16(18(21)22)14-9-13(19)7-8-15(14)20-17;1-10-6-3-4-8-13(10)16-14-9-5-7-12(15)11(14)2;1-8-6-9(2-5-13(8)16)11-4-3-10(14)7-12(11)15/h6-13,20-21H,14-19H2,1-5H3,(H2,33,34,38);6-15,20,23H,16-19,21H2,1-5H3,(H2,33,34,38);6-13,20-21H,14-19H2,1-5H3,(H2,33,34,38);5-14,21H,15-20H2,1-4H3,(H2,32,33,37);2*5-13H,1-4H3,(H,29,30);4-9H,1-3H3,(H,22,23);3-9H,1-2H3,(H,21,22);3-9,16H,1-2H3;2-7,16H,1H3
InChIKeyJBSMHESBJBEHGW-UHFFFAOYSA-N
MW4008.28 g/mol
LogP55.60
Rot. Bonds41

About 1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylmorpholin-4-yl)ethoxy]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;3-chloro-2-methyl-N-(2-methylphenyl)aniline;4-(2,4-difluorophenyl)-2-methylphenol;2-(3,4-dimethylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid;6-fluoro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,3,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,4,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid

1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylmorpholin-4-yl)ethoxy]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;3-chloro-2-methyl-N-(2-methylphenyl)aniline;4-(2,4-difluorophenyl)-2-methylphenol;2-(3,4-dimethylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid;6-fluoro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,3,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,4,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid (PubChem CID 158870016) has the molecular formula C243H252ClF6N25O21 and a molecular weight of 4008.28 g/mol. Its IUPAC name is 1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylmorpholin-4-yl)ethoxy]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;3-chloro-2-methyl-N-(2-methylphenyl)aniline;4-(2,4-difluorophenyl)-2-methylphenol;2-(3,4-dimethylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid;6-fluoro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,3,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,4,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylmorpholin-4-yl)ethoxy]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;3-chloro-2-methyl-N-(2-methylphenyl)aniline;4-(2,4-difluorophenyl)-2-methylphenol;2-(3,4-dimethylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid;6-fluoro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,3,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,4,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid
PubChem CID158870016
Molecular FormulaC243H252ClF6N25O21
Molecular Weight4008.28 g/mol
Exact Mass4004.90
IUPAC Name1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylmorpholin-4-yl)ethoxy]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;3-chloro-2-methyl-N-(2-methylphenyl)aniline;4-(2,4-difluorophenyl)-2-methylphenol;2-(3,4-dimethylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid;6-fluoro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,3,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,4,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid
SMILESCc1cc(-c2ccc(F)cc2F)ccc1O.Cc1cc(C)c(-c2ccc(-c3nc4ccc(F)cc4c(C(=O)O)c3C)cc2)c(C)c1.Cc1ccc(-c2nc3ccc(F)cc3c(C(=O)O)c2C)cc1.Cc1ccc(-c2nc3ccc(F)cc3c(C(=O)O)c2C)cc1C.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOC(C)C3)c3ccccc23)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)c(C)c1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1C.Cc1ccc(C)c(-c2ccc(-c3nc4ccc(F)cc4c(C(=O)O)c3C)cc2)c1C.Cc1ccccc1Nc1cccc(Cl)c1C
InChIInChI=1S/3C32H39N5O3.C31H37N5O3.2C26H22FNO2.C19H16FNO2.C18H14FNO2.C14H14ClN.C13H10F2O/c1-22-10-12-27(23(2)20-22)37-30(21-29(35-37)32(3,4)5)34-31(38)33-26-11-13-28(25-9-7-6-8-24(25)26)40-19-16-36-14-17-39-18-15-36;1-22-10-12-24(13-11-22)37-30(20-29(35-37)32(3,4)5)34-31(38)33-27-14-15-28(26-9-7-6-8-25(26)27)40-19-17-36-16-18-39-23(2)21-36;1-22-10-11-24(20-23(22)2)37-30(21-29(35-37)32(3,4)5)34-31(38)33-27-12-13-28(26-9-7-6-8-25(26)27)40-19-16-36-14-17-39-18-15-36;1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35;1-14-11-15(2)23(16(3)12-14)18-5-7-19(8-6-18)25-17(4)24(26(29)30)21-13-20(27)9-10-22(21)28-25;1-14-5-6-15(2)23(16(14)3)18-7-9-19(10-8-18)25-17(4)24(26(29)30)21-13-20(27)11-12-22(21)28-25;1-10-4-5-13(8-11(10)2)18-12(3)17(19(22)23)15-9-14(20)6-7-16(15)21-18;1-10-3-5-12(6-4-10)17-11(2)16(18(21)22)14-9-13(19)7-8-15(14)20-17;1-10-6-3-4-8-13(10)16-14-9-5-7-12(15)11(14)2;1-8-6-9(2-5-13(8)16)11-4-3-10(14)7-12(11)15/h6-13,20-21H,14-19H2,1-5H3,(H2,33,34,38);6-15,20,23H,16-19,21H2,1-5H3,(H2,33,34,38);6-13,20-21H,14-19H2,1-5H3,(H2,33,34,38);5-14,21H,15-20H2,1-4H3,(H2,32,33,37);2*5-13H,1-4H3,(H,29,30);4-9H,1-3H3,(H,22,23);3-9H,1-2H3,(H,21,22);3-9,16H,1-2H3;2-7,16H,1H3
InChIKeyJBSMHESBJBEHGW-UHFFFAOYSA-N
XLogP55.60
TPSA555.62 Ų
H-Bond Donors14
H-Bond Acceptors34
Rotatable Bonds41
Heavy Atoms296
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004008.28
LogP ≤ 555.60
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1034

Analyze 1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylmorpholin-4-yl)ethoxy]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;3-chloro-2-methyl-N-(2-methylphenyl)aniline;4-(2,4-difluorophenyl)-2-methylphenol;2-(3,4-dimethylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid;6-fluoro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,3,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,4,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid with MolForge

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Related Compounds

1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylmorpholin-4-yl)ethoxy]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 161069176
1-[3-Tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;4-(2,4-difluorophenyl)-2-methylphenol;2-(3,4-dimethylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid;6-fluoro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 91210606
1-[3-Tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;4-(2,4-difluorophenyl)-2-methylphenol;2-(3,4-dimethylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid;6-fluoro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 157560232
1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylmorpholin-4-yl)ethoxy]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
CID 161263363

Frequently Asked Questions

What is the IUPAC name of 1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylmorpholin-4-yl)ethoxy]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;3-chloro-2-methyl-N-(2-methylphenyl)aniline;4-(2,4-difluorophenyl)-2-methylphenol;2-(3,4-dimethylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid;6-fluoro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,3,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,4,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylmorpholin-4-yl)ethoxy]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;3-chloro-2-methyl-N-(2-methylphenyl)aniline;4-(2,4-difluorophenyl)-2-methylphenol;2-(3,4-dimethylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid;6-fluoro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,3,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,4,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid (CID 158870016) is 1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylmorpholin-4-yl)ethoxy]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;3-chloro-2-methyl-N-(2-methylphenyl)aniline;4-(2,4-difluorophenyl)-2-methylphenol;2-(3,4-dimethylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid;6-fluoro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,3,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,4,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylmorpholin-4-yl)ethoxy]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;3-chloro-2-methyl-N-(2-methylphenyl)aniline;4-(2,4-difluorophenyl)-2-methylphenol;2-(3,4-dimethylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid;6-fluoro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,3,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,4,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylmorpholin-4-yl)ethoxy]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;3-chloro-2-methyl-N-(2-methylphenyl)aniline;4-(2,4-difluorophenyl)-2-methylphenol;2-(3,4-dimethylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid;6-fluoro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,3,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,4,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid is Cc1cc(-c2ccc(F)cc2F)ccc1O.Cc1cc(C)c(-c2ccc(-c3nc4ccc(F)cc4c(C(=O)O)c3C)cc2)c(C)c1.Cc1ccc(-c2nc3ccc(F)cc3c(C(=O)O)c2C)cc1.Cc1ccc(-c2nc3ccc(F)cc3c(C(=O)O)c2C)cc1C.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOC(C)C3)c3ccccc23)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)c(C)c1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1C.Cc1ccc(C)c(-c2ccc(-c3nc4ccc(F)cc4c(C(=O)O)c3C)cc2)c1C.Cc1ccccc1Nc1cccc(Cl)c1C.
What is the InChIKey of 1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylmorpholin-4-yl)ethoxy]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;3-chloro-2-methyl-N-(2-methylphenyl)aniline;4-(2,4-difluorophenyl)-2-methylphenol;2-(3,4-dimethylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid;6-fluoro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,3,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,4,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid?
The InChIKey is JBSMHESBJBEHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C32H39N5O3.C31H37N5O3.2C26H22FNO2.C19H16FNO2.C18H14FNO2.C14H14ClN.C13H10F2O/c1-22-10-12-27(23(2)20-22)37-30(21-29(35-37)32(3,4)5)34-31(38)33-26-11-13-28(25-9-7-6-8-24(25)26)40-19-16-36-14-17-39-18-15-36;1-22-10-12-24(13-11-22)37-30(20-29(35-37)32(3,4)5)34-31(38)33-27-14-15-28(26-9-7-6-8-25(26)27)40-19-17-36-16-18-39-23(2)21-36;1-22-10-11-24(20-23(22)2)37-30(21-29(35-37)32(3,4)5)34-31(38)33-27-12-13-28(26-9-7-6-8-25(26)27)40-19-16-36-14-17-39-18-15-36;1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35;1-14-11-15(2)23(16(3)12-14)18-5-7-19(8-6-18)25-17(4)24(26(29)30)21-13-20(27)9-10-22(21)28-25;1-14-5-6-15(2)23(16(14)3)18-7-9-19(10-8-18)25-17(4)24(26(29)30)21-13-20(27)11-12-22(21)28-25;1-10-4-5-13(8-11(10)2)18-12(3)17(19(22)23)15-9-14(20)6-7-16(15)21-18;1-10-3-5-12(6-4-10)17-11(2)16(18(21)22)14-9-13(19)7-8-15(14)20-17;1-10-6-3-4-8-13(10)16-14-9-5-7-12(15)11(14)2;1-8-6-9(2-5-13(8)16)11-4-3-10(14)7-12(11)15/h6-13,20-21H,14-19H2,1-5H3,(H2,33,34,38);6-15,20,23H,16-19,21H2,1-5H3,(H2,33,34,38);6-13,20-21H,14-19H2,1-5H3,(H2,33,34,38);5-14,21H,15-20H2,1-4H3,(H2,32,33,37);2*5-13H,1-4H3,(H,29,30);4-9H,1-3H3,(H,22,23);3-9H,1-2H3,(H,21,22);3-9,16H,1-2H3;2-7,16H,1H3.
What are the key properties of 1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylmorpholin-4-yl)ethoxy]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;3-chloro-2-methyl-N-(2-methylphenyl)aniline;4-(2,4-difluorophenyl)-2-methylphenol;2-(3,4-dimethylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid;6-fluoro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,3,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,4,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid?
1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylmorpholin-4-yl)ethoxy]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;3-chloro-2-methyl-N-(2-methylphenyl)aniline;4-(2,4-difluorophenyl)-2-methylphenol;2-(3,4-dimethylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid;6-fluoro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,3,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,4,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid has a molecular weight of 4008.28 g/mol, XLogP of 55.60, 41 rotatable bonds, 14 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylmorpholin-4-yl)ethoxy]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;3-chloro-2-methyl-N-(2-methylphenyl)aniline;4-(2,4-difluorophenyl)-2-methylphenol;2-(3,4-dimethylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid;6-fluoro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,3,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(2,4,6-trimethylphenyl)phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 158870016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).