tert-butyl N-[[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;2-[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid

C124H127N45O15 — CID 158573182

About tert-butyl N-[[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;2-[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid

tert-butyl N-[[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;2-[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid (PubChem CID 158573182) has the molecular formula C124H127N45O15 and a molecular weight of 2487.68 g/mol. Its IUPAC name is tert-butyl N-[[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;2-[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid.

Molecular Properties

• Compound Name: tert-butyl N-[[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;2-[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
• PubChem CID: 158573182
• Molecular Formula: C124H127N45O15
• Molecular Weight: 2487.68 g/mol
• Exact Mass: 2486.06
• IUPAC Name: tert-butyl N-[[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;2-[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
• SMILES: CC(C)(C)OC(=O)NCc1cccc(Nc2ncnc(Nc3cc(-c4ccccc4)[nH]n3)n2)c1.CC(C)(C)OC(=O)NCc1cccc(Nc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)c1.CC(C)(C)OC(=O)NCc1cccc(Nc2ncnc(Nc3cc(C(C)(C)C)[nH]n3)n2)c1.O=C(O)Cc1ccc(Nc2ncnc(Nc3cc(-c4ccccc4)[nH]n3)n2)cc1.O=C(O)Cc1ccc(Nc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)cc1.O=C(O)Cc1cccc(Nc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)c1
• InChI: InChI=1S/C24H26N8O2.C22H24N8O3.C22H30N8O2.C20H17N7O2.2C18H15N7O3/c1-24(2,3)34-23(33)25-14-16-8-7-11-18(12-16)28-21-26-15-27-22(30-21)29-20-13-19(31-32-20)17-9-5-4-6-10-17;1-22(2,3)33-21(31)23-12-14-6-4-7-15(10-14)26-19-24-13-25-20(28-19)27-18-11-16(29-30-18)17-8-5-9-32-17;1-21(2,3)16-11-17(30-29-16)27-19-25-13-24-18(28-19)26-15-9-7-8-14(10-15)12-23-20(31)32-22(4,5)6;28-18(29)10-13-6-8-15(9-7-13)23-19-21-12-22-20(25-19)24-17-11-16(26-27-17)14-4-2-1-3-5-14;26-16(27)8-11-3-1-4-12(7-11)21-17-19-10-20-18(23-17)22-15-9-13(24-25-15)14-5-2-6-28-14;26-16(27)8-11-3-5-12(6-4-11)21-17-19-10-20-18(23-17)22-15-9-13(24-25-15)14-2-1-7-28-14/h4-13,15H,14H2,1-3H3,(H,25,33)(H3,26,27,28,29,30,31,32);4-11,13H,12H2,1-3H3,(H,23,31)(H3,24,25,26,27,28,29,30);7-11,13H,12H2,1-6H3,(H,23,31)(H3,24,25,26,27,28,29,30);1-9,11-12H,10H2,(H,28,29)(H3,21,22,23,24,25,26,27);2*1-7,9-10H,8H2,(H,26,27)(H3,19,20,21,22,23,24,25)
• InChIKey: HSIIEFIJGDXZQL-UHFFFAOYSA-N
• XLogP: 22.86
• TPSA: 814.77 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 48
• Rotatable Bonds: 41
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2487.68
LogP ≤ 5	22.86
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;2-[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid?

The IUPAC name of tert-butyl N-[[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;2-[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid (CID 158573182) is tert-butyl N-[[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;2-[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid.

What is the SMILES notation for tert-butyl N-[[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;2-[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid?

The canonical SMILES for tert-butyl N-[[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;2-[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid is CC(C)(C)OC(=O)NCc1cccc(Nc2ncnc(Nc3cc(-c4ccccc4)[nH]n3)n2)c1.CC(C)(C)OC(=O)NCc1cccc(Nc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)c1.CC(C)(C)OC(=O)NCc1cccc(Nc2ncnc(Nc3cc(C(C)(C)C)[nH]n3)n2)c1.O=C(O)Cc1ccc(Nc2ncnc(Nc3cc(-c4ccccc4)[nH]n3)n2)cc1.O=C(O)Cc1ccc(Nc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)cc1.O=C(O)Cc1cccc(Nc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)c1.

What is the InChIKey of tert-butyl N-[[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;2-[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid?

The InChIKey is HSIIEFIJGDXZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2.C22H24N8O3.C22H30N8O2.C20H17N7O2.2C18H15N7O3/c1-24(2,3)34-23(33)25-14-16-8-7-11-18(12-16)28-21-26-15-27-22(30-21)29-20-13-19(31-32-20)17-9-5-4-6-10-17;1-22(2,3)33-21(31)23-12-14-6-4-7-15(10-14)26-19-24-13-25-20(28-19)27-18-11-16(29-30-18)17-8-5-9-32-17;1-21(2,3)16-11-17(30-29-16)27-19-25-13-24-18(28-19)26-15-9-7-8-14(10-15)12-23-20(31)32-22(4,5)6;28-18(29)10-13-6-8-15(9-7-13)23-19-21-12-22-20(25-19)24-17-11-16(26-27-17)14-4-2-1-3-5-14;26-16(27)8-11-3-1-4-12(7-11)21-17-19-10-20-18(23-17)22-15-9-13(24-25-15)14-5-2-6-28-14;26-16(27)8-11-3-5-12(6-4-11)21-17-19-10-20-18(23-17)22-15-9-13(24-25-15)14-2-1-7-28-14/h4-13,15H,14H2,1-3H3,(H,25,33)(H3,26,27,28,29,30,31,32);4-11,13H,12H2,1-3H3,(H,23,31)(H3,24,25,26,27,28,29,30);7-11,13H,12H2,1-6H3,(H,23,31)(H3,24,25,26,27,28,29,30);1-9,11-12H,10H2,(H,28,29)(H3,21,22,23,24,25,26,27);2*1-7,9-10H,8H2,(H,26,27)(H3,19,20,21,22,23,24,25).

What are the key properties of tert-butyl N-[[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;2-[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid?

tert-butyl N-[[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;2-[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid has a molecular weight of 2487.68 g/mol, XLogP of 22.86, 41 rotatable bonds, 24 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate;2-[3-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;2-[4-[[4-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid is sourced from PubChem (CID 158573182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).