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

C114H118F4N12O11 — CID 91210606

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;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

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 (PubChem CID 91210606) has the molecular formula C114H118F4N12O11 and a molecular weight of 1908.26 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;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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 91210606
• Molecular Formula: C114H118F4N12O11
• Molecular Weight: 1908.26 g/mol
• Exact Mass: 1906.90
• IUPAC Name: 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
• SMILES: Cc1cc(-c2ccc(F)cc2F)ccc1O.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(OCCN3CCOCC3)c3ccccc23)c(C)c1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1C
• InChI: InChI=1S/2C32H39N5O3.C19H16FNO2.C18H14FNO2.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;1-22-10-11-24(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;1-10-4-5-13(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;1-8-6-9(2-5-13(8)16)11-4-3-10(14)7-12(11)15/h2*6-13,20-21H,14-19H2,1-5H3,(H2,33,34,38);4-9H,1-3H3,(H,22,23);3-9H,1-2H3,(H,21,22);2-7,16H,1H3
• InChIKey: PTBCBPJUFCCTGK-UHFFFAOYSA-N
• XLogP: 25.26
• TPSA: 281.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1908.26
LogP ≤ 5	25.26
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

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;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?

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;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) 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;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.

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;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?

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;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 is Cc1cc(-c2ccc(F)cc2F)ccc1O.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(OCCN3CCOCC3)c3ccccc23)c(C)c1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1C.

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;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?

The InChIKey is PTBCBPJUFCCTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H39N5O3.C19H16FNO2.C18H14FNO2.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;1-22-10-11-24(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;1-10-4-5-13(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;1-8-6-9(2-5-13(8)16)11-4-3-10(14)7-12(11)15/h2*6-13,20-21H,14-19H2,1-5H3,(H2,33,34,38);4-9H,1-3H3,(H,22,23);3-9H,1-2H3,(H,21,22);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;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?

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 has a molecular weight of 1908.26 g/mol, XLogP of 25.26, 19 rotatable bonds, 7 hydrogen bond donors, and 17 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;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 is sourced from PubChem (CID 91210606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).