1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-hydroxy-5-methylphenyl)urea;1-[4-[3-amino-7-(2-methoxyethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea

C66H62N14O6S — CID 87278642

About 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-hydroxy-5-methylphenyl)urea;1-[4-[3-amino-7-(2-methoxyethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea

1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-hydroxy-5-methylphenyl)urea;1-[4-[3-amino-7-(2-methoxyethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea (PubChem CID 87278642) has the molecular formula C66H62N14O6S and a molecular weight of 1179.38 g/mol. Its IUPAC name is 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-hydroxy-5-methylphenyl)urea;1-[4-[3-amino-7-(2-methoxyethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

• Compound Name: 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-hydroxy-5-methylphenyl)urea;1-[4-[3-amino-7-(2-methoxyethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea
• PubChem CID: 87278642
• Molecular Formula: C66H62N14O6S
• Molecular Weight: 1179.38 g/mol
• Exact Mass: 1178.47
• IUPAC Name: 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-hydroxy-5-methylphenyl)urea;1-[4-[3-amino-7-(2-methoxyethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea
• SMILES: COCCOc1ccc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c(N)n[nH]c12.Cc1cc(O)cc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1.Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1
• InChI: InChI=1S/C24H25N5O3.C21H19N5O2.C21H18N4OS/c1-15-4-3-5-18(14-15)27-24(30)26-17-8-6-16(7-9-17)19-10-11-20(32-13-12-31-2)22-21(19)23(25)29-28-22;1-12-9-15(11-16(27)10-12)24-21(28)23-14-7-5-13(6-8-14)17-3-2-4-18-19(17)20(22)26-25-18;1-13-3-2-4-16(11-13)25-21(26)24-15-7-5-14(6-8-15)17-12-27-18-9-10-23-20(22)19(17)18/h3-11,14H,12-13H2,1-2H3,(H3,25,28,29)(H2,26,27,30);2-11,27H,1H3,(H3,22,25,26)(H2,23,24,28);2-12H,1H3,(H2,22,23)(H2,24,25,26)
• InChIKey: APYYUPVVKULDAU-UHFFFAOYSA-N
• XLogP: 14.76
• TPSA: 310.39 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1179.38
LogP ≤ 5	14.76
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-hydroxy-5-methylphenyl)urea;1-[4-[3-amino-7-(2-methoxyethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea?

The IUPAC name of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-hydroxy-5-methylphenyl)urea;1-[4-[3-amino-7-(2-methoxyethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea (CID 87278642) is 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-hydroxy-5-methylphenyl)urea;1-[4-[3-amino-7-(2-methoxyethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea.

What is the SMILES notation for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-hydroxy-5-methylphenyl)urea;1-[4-[3-amino-7-(2-methoxyethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea?

The canonical SMILES for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-hydroxy-5-methylphenyl)urea;1-[4-[3-amino-7-(2-methoxyethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea is COCCOc1ccc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c(N)n[nH]c12.Cc1cc(O)cc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1.Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1.

What is the InChIKey of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-hydroxy-5-methylphenyl)urea;1-[4-[3-amino-7-(2-methoxyethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea?

The InChIKey is APYYUPVVKULDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3.C21H19N5O2.C21H18N4OS/c1-15-4-3-5-18(14-15)27-24(30)26-17-8-6-16(7-9-17)19-10-11-20(32-13-12-31-2)22-21(19)23(25)29-28-22;1-12-9-15(11-16(27)10-12)24-21(28)23-14-7-5-13(6-8-14)17-3-2-4-18-19(17)20(22)26-25-18;1-13-3-2-4-16(11-13)25-21(26)24-15-7-5-14(6-8-15)17-12-27-18-9-10-23-20(22)19(17)18/h3-11,14H,12-13H2,1-2H3,(H3,25,28,29)(H2,26,27,30);2-11,27H,1H3,(H3,22,25,26)(H2,23,24,28);2-12H,1H3,(H2,22,23)(H2,24,25,26).

What are the key properties of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-hydroxy-5-methylphenyl)urea;1-[4-[3-amino-7-(2-methoxyethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea?

1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-hydroxy-5-methylphenyl)urea;1-[4-[3-amino-7-(2-methoxyethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea has a molecular weight of 1179.38 g/mol, XLogP of 14.76, 13 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-hydroxy-5-methylphenyl)urea;1-[4-[3-amino-7-(2-methoxyethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 87278642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).