5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methane;N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methyl-5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

C138H159N29O10S4 — CID 158228491

About 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methane;N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methyl-5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methane;N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methyl-5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (PubChem CID 158228491) has the molecular formula C138H159N29O10S4 and a molecular weight of 2512.25 g/mol. Its IUPAC name is 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methane;N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methyl-5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.

Molecular Properties

• Compound Name: 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methane;N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methyl-5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
• PubChem CID: 158228491
• Molecular Formula: C138H159N29O10S4
• Molecular Weight: 2512.25 g/mol
• Exact Mass: 2510.17
• IUPAC Name: 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methane;N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methyl-5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
• SMILES: C.CC(=O)Nc1nc2cccc(-c3cccc(C(C)C)c3)n2n1.CC(C)(C)CS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccc(N5CCOCC5)cc4)nn23)c1.CC(C)(C)CS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccccn4)nn23)c1.CC(C)CS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccc(N5CCN(C)CC5)cc4)nn23)c1.CN1CCN(c2ccc(Nc3nc4cccc(-c5cccc(S(=O)(=O)CC(C)(C)C)c5)n4n3)cc2)CC1.Cc1nc2cccc(-c3cccc(C(C)C)c3)n2n1
• InChI: InChI=1S/C28H34N6O2S.C27H32N6O2S.C27H31N5O3S.C22H23N5O2S.C17H18N4O.C16H17N3.CH4/c1-28(2,3)20-37(35,36)24-8-5-7-21(19-24)25-9-6-10-26-30-27(31-34(25)26)29-22-11-13-23(14-12-22)33-17-15-32(4)16-18-33;1-20(2)19-36(34,35)24-7-4-6-21(18-24)25-8-5-9-26-29-27(30-33(25)26)28-22-10-12-23(13-11-22)32-16-14-31(3)15-17-32;1-27(2,3)19-36(33,34)23-7-4-6-20(18-23)24-8-5-9-25-29-26(30-32(24)25)28-21-10-12-22(13-11-21)31-14-16-35-17-15-31;1-22(2,3)15-30(28,29)17-9-6-8-16(14-17)18-10-7-12-20-25-21(26-27(18)20)24-19-11-4-5-13-23-19;1-11(2)13-6-4-7-14(10-13)15-8-5-9-16-19-17(18-12(3)22)20-21(15)16;1-11(2)13-6-4-7-14(10-13)15-8-5-9-16-17-12(3)18-19(15)16;/h5-14,19H,15-18,20H2,1-4H3,(H,29,31);4-13,18,20H,14-17,19H2,1-3H3,(H,28,30);4-13,18H,14-17,19H2,1-3H3,(H,28,30);4-14H,15H2,1-3H3,(H,23,24,26);4-11H,1-3H3,(H,18,20,22);4-11H,1-3H3;1H4
• InChIKey: GECBKYAJUZLDJF-UHFFFAOYSA-N
• XLogP: 26.13
• TPSA: 433.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 29
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2512.25
LogP ≤ 5	26.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methane;N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methyl-5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?

The IUPAC name of 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methane;N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methyl-5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (CID 158228491) is 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methane;N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methyl-5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.

What is the SMILES notation for 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methane;N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methyl-5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?

The canonical SMILES for 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methane;N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methyl-5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is C.CC(=O)Nc1nc2cccc(-c3cccc(C(C)C)c3)n2n1.CC(C)(C)CS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccc(N5CCOCC5)cc4)nn23)c1.CC(C)(C)CS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccccn4)nn23)c1.CC(C)CS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccc(N5CCN(C)CC5)cc4)nn23)c1.CN1CCN(c2ccc(Nc3nc4cccc(-c5cccc(S(=O)(=O)CC(C)(C)C)c5)n4n3)cc2)CC1.Cc1nc2cccc(-c3cccc(C(C)C)c3)n2n1.

What is the InChIKey of 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methane;N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methyl-5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?

The InChIKey is GECBKYAJUZLDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2S.C27H32N6O2S.C27H31N5O3S.C22H23N5O2S.C17H18N4O.C16H17N3.CH4/c1-28(2,3)20-37(35,36)24-8-5-7-21(19-24)25-9-6-10-26-30-27(31-34(25)26)29-22-11-13-23(14-12-22)33-17-15-32(4)16-18-33;1-20(2)19-36(34,35)24-7-4-6-21(18-24)25-8-5-9-26-29-27(30-33(25)26)28-22-10-12-23(13-11-22)32-16-14-31(3)15-17-32;1-27(2,3)19-36(33,34)23-7-4-6-20(18-23)24-8-5-9-25-29-26(30-32(24)25)28-21-10-12-22(13-11-21)31-14-16-35-17-15-31;1-22(2,3)15-30(28,29)17-9-6-8-16(14-17)18-10-7-12-20-25-21(26-27(18)20)24-19-11-4-5-13-23-19;1-11(2)13-6-4-7-14(10-13)15-8-5-9-16-19-17(18-12(3)22)20-21(15)16;1-11(2)13-6-4-7-14(10-13)15-8-5-9-16-17-12(3)18-19(15)16;/h5-14,19H,15-18,20H2,1-4H3,(H,29,31);4-13,18,20H,14-17,19H2,1-3H3,(H,28,30);4-13,18H,14-17,19H2,1-3H3,(H,28,30);4-14H,15H2,1-3H3,(H,23,24,26);4-11H,1-3H3,(H,18,20,22);4-11H,1-3H3;1H4.

What are the key properties of 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methane;N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methyl-5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?

5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methane;N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methyl-5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide has a molecular weight of 2512.25 g/mol, XLogP of 26.13, 29 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methane;N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropylsulfonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-methyl-5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 158228491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).