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;methyl N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate;5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C109H122N24O9S3 — CID 158503211

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;methyl N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate;5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

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;methyl N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate;5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 158503211) has the molecular formula C109H122N24O9S3 and a molecular weight of 2008.53 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;methyl N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate;5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

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;methyl N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate;5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 158503211
• Molecular Formula: C109H122N24O9S3
• Molecular Weight: 2008.53 g/mol
• Exact Mass: 2006.90
• 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;methyl N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate;5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: 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)c1cccc(-c2cccc3nc(N)nn23)c1.CN1CCN(c2ccc(Nc3nc4cccc(-c5cccc(S(=O)(=O)CC(C)(C)C)c5)n4n3)cc2)CC1.COC(=O)Nc1nc2cccc(-c3cccc(C(C)C)c3)n2n1
• InChI: InChI=1S/C28H34N6O2S.C27H31N5O3S.C22H23N5O2S.C17H18N4O2.C15H16N4/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;1-27(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)12-6-4-7-13(10-12)14-8-5-9-15-18-16(20-21(14)15)19-17(22)23-3;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-17-15(16)18-19(13)14/h5-14,19H,15-18,20H2,1-4H3,(H,29,31);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,19,20,22);3-10H,1-2H3,(H2,16,18)
• InChIKey: HKDQAPSXFNCYJF-UHFFFAOYSA-N
• XLogP: 20.66
• TPSA: 385.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2008.53
LogP ≤ 5	20.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

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;methyl N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate;5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

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;methyl N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate;5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 158503211) 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;methyl N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate;5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

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;methyl N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate;5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

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;methyl N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate;5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is 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)c1cccc(-c2cccc3nc(N)nn23)c1.CN1CCN(c2ccc(Nc3nc4cccc(-c5cccc(S(=O)(=O)CC(C)(C)C)c5)n4n3)cc2)CC1.COC(=O)Nc1nc2cccc(-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;methyl N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate;5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is HKDQAPSXFNCYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2S.C27H31N5O3S.C22H23N5O2S.C17H18N4O2.C15H16N4/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;1-27(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)12-6-4-7-13(10-12)14-8-5-9-15-18-16(20-21(14)15)19-17(22)23-3;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-17-15(16)18-19(13)14/h5-14,19H,15-18,20H2,1-4H3,(H,29,31);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,19,20,22);3-10H,1-2H3,(H2,16,18).

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;methyl N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate;5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

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;methyl N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate;5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 2008.53 g/mol, XLogP of 20.66, 22 rotatable bonds, 5 hydrogen bond donors, and 32 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;methyl N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate;5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 158503211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).