1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide;N-(2-butylquinolin-6-yl)-2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethylbutanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-(6-methylpyridazin-3-yl)butanamide;2-[4-(2-methoxypyrimidin-5-yl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide

C128H133N25O9S — CID 158185509

About 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide;N-(2-butylquinolin-6-yl)-2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethylbutanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-(6-methylpyridazin-3-yl)butanamide;2-[4-(2-methoxypyrimidin-5-yl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide

1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide;N-(2-butylquinolin-6-yl)-2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethylbutanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-(6-methylpyridazin-3-yl)butanamide;2-[4-(2-methoxypyrimidin-5-yl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 158185509) has the molecular formula C128H133N25O9S and a molecular weight of 2197.70 g/mol. Its IUPAC name is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide;N-(2-butylquinolin-6-yl)-2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethylbutanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-(6-methylpyridazin-3-yl)butanamide;2-[4-(2-methoxypyrimidin-5-yl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

• Compound Name: 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide;N-(2-butylquinolin-6-yl)-2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethylbutanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-(6-methylpyridazin-3-yl)butanamide;2-[4-(2-methoxypyrimidin-5-yl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
• PubChem CID: 158185509
• Molecular Formula: C128H133N25O9S
• Molecular Weight: 2197.70 g/mol
• Exact Mass: 2196.04
• IUPAC Name: 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide;N-(2-butylquinolin-6-yl)-2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethylbutanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-(6-methylpyridazin-3-yl)butanamide;2-[4-(2-methoxypyrimidin-5-yl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
• SMILES: CCCCc1ccc2cc(NC(=O)C(C)(c3ccc(-c4cncc(OC)c4)cc3)C(C)C)ccc2n1.COc1ccc(-c2nc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)n[nH]2)cc1.COc1cncc(-c2ccc(C(C)(C(=O)Nc3ccc(C)nn3)C(C)C)cc2)c1.COc1ncc(-c2ccc(C(C)(C(=O)Nc3ccc(-c4csc(C)n4)cc3)C(C)C)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4n[nH]c(-c5ccccc5)n4)CCC3)cc2)cn1
• InChI: InChI=1S/C31H35N3O2.C27H28N4O2S.C24H23N7O2.C23H21N7O.C23H26N4O2/c1-6-7-8-26-14-11-23-17-27(15-16-29(23)33-26)34-30(35)31(4,21(2)3)25-12-9-22(10-13-25)24-18-28(36-5)20-32-19-24;1-17(2)27(4,22-10-6-19(7-11-22)21-14-28-26(33-5)29-15-21)25(32)31-23-12-8-20(9-13-23)24-16-34-18(3)30-24;1-33-19-9-5-16(6-10-19)20-28-23(31-30-20)29-21(32)24(11-2-12-24)18-7-3-15(4-8-18)17-13-26-22(25)27-14-17;24-21-25-13-17(14-26-21)15-7-9-18(10-8-15)23(11-4-12-23)20(31)28-22-27-19(29-30-22)16-5-2-1-3-6-16;1-15(2)23(4,22(28)25-21-11-6-16(3)26-27-21)19-9-7-17(8-10-19)18-12-20(29-5)14-24-13-18/h9-21H,6-8H2,1-5H3,(H,34,35);6-17H,1-5H3,(H,31,32);3-10,13-14H,2,11-12H2,1H3,(H2,25,26,27)(H2,28,29,30,31,32);1-3,5-10,13-14H,4,11-12H2,(H2,24,25,26)(H2,27,28,29,30,31);6-15H,1-5H3,(H,25,27,28)
• InChIKey: FZCBDAFOAGOKJZ-UHFFFAOYSA-N
• XLogP: 24.90
• TPSA: 472.28 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 33
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2197.70
LogP ≤ 5	24.90
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide;N-(2-butylquinolin-6-yl)-2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethylbutanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-(6-methylpyridazin-3-yl)butanamide;2-[4-(2-methoxypyrimidin-5-yl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?

The IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide;N-(2-butylquinolin-6-yl)-2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethylbutanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-(6-methylpyridazin-3-yl)butanamide;2-[4-(2-methoxypyrimidin-5-yl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide (CID 158185509) is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide;N-(2-butylquinolin-6-yl)-2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethylbutanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-(6-methylpyridazin-3-yl)butanamide;2-[4-(2-methoxypyrimidin-5-yl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide.

What is the SMILES notation for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide;N-(2-butylquinolin-6-yl)-2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethylbutanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-(6-methylpyridazin-3-yl)butanamide;2-[4-(2-methoxypyrimidin-5-yl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?

The canonical SMILES for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide;N-(2-butylquinolin-6-yl)-2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethylbutanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-(6-methylpyridazin-3-yl)butanamide;2-[4-(2-methoxypyrimidin-5-yl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide is CCCCc1ccc2cc(NC(=O)C(C)(c3ccc(-c4cncc(OC)c4)cc3)C(C)C)ccc2n1.COc1ccc(-c2nc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)n[nH]2)cc1.COc1cncc(-c2ccc(C(C)(C(=O)Nc3ccc(C)nn3)C(C)C)cc2)c1.COc1ncc(-c2ccc(C(C)(C(=O)Nc3ccc(-c4csc(C)n4)cc3)C(C)C)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4n[nH]c(-c5ccccc5)n4)CCC3)cc2)cn1.

What is the InChIKey of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide;N-(2-butylquinolin-6-yl)-2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethylbutanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-(6-methylpyridazin-3-yl)butanamide;2-[4-(2-methoxypyrimidin-5-yl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?

The InChIKey is FZCBDAFOAGOKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O2.C27H28N4O2S.C24H23N7O2.C23H21N7O.C23H26N4O2/c1-6-7-8-26-14-11-23-17-27(15-16-29(23)33-26)34-30(35)31(4,21(2)3)25-12-9-22(10-13-25)24-18-28(36-5)20-32-19-24;1-17(2)27(4,22-10-6-19(7-11-22)21-14-28-26(33-5)29-15-21)25(32)31-23-12-8-20(9-13-23)24-16-34-18(3)30-24;1-33-19-9-5-16(6-10-19)20-28-23(31-30-20)29-21(32)24(11-2-12-24)18-7-3-15(4-8-18)17-13-26-22(25)27-14-17;24-21-25-13-17(14-26-21)15-7-9-18(10-8-15)23(11-4-12-23)20(31)28-22-27-19(29-30-22)16-5-2-1-3-6-16;1-15(2)23(4,22(28)25-21-11-6-16(3)26-27-21)19-9-7-17(8-10-19)18-12-20(29-5)14-24-13-18/h9-21H,6-8H2,1-5H3,(H,34,35);6-17H,1-5H3,(H,31,32);3-10,13-14H,2,11-12H2,1H3,(H2,25,26,27)(H2,28,29,30,31,32);1-3,5-10,13-14H,4,11-12H2,(H2,24,25,26)(H2,27,28,29,30,31);6-15H,1-5H3,(H,25,27,28).

What are the key properties of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide;N-(2-butylquinolin-6-yl)-2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethylbutanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-(6-methylpyridazin-3-yl)butanamide;2-[4-(2-methoxypyrimidin-5-yl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?

1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide;N-(2-butylquinolin-6-yl)-2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethylbutanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-(6-methylpyridazin-3-yl)butanamide;2-[4-(2-methoxypyrimidin-5-yl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 2197.70 g/mol, XLogP of 24.90, 33 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide;N-(2-butylquinolin-6-yl)-2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethylbutanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-(6-methylpyridazin-3-yl)butanamide;2-[4-(2-methoxypyrimidin-5-yl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 158185509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).