N-(2-amino-2-methylpropyl)-4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)-4-methoxyphenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[(2-methoxyethylamino)methyl]phenyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C121H126FN33O8S — CID 158462869

About N-(2-amino-2-methylpropyl)-4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)-4-methoxyphenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[(2-methoxyethylamino)methyl]phenyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(2-amino-2-methylpropyl)-4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)-4-methoxyphenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[(2-methoxyethylamino)methyl]phenyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 158462869) has the molecular formula C121H126FN33O8S and a molecular weight of 2221.63 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)-4-methoxyphenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[(2-methoxyethylamino)methyl]phenyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: N-(2-amino-2-methylpropyl)-4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)-4-methoxyphenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[(2-methoxyethylamino)methyl]phenyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 158462869
• Molecular Formula: C121H126FN33O8S
• Molecular Weight: 2221.63 g/mol
• Exact Mass: 2220.02
• IUPAC Name: N-(2-amino-2-methylpropyl)-4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)-4-methoxyphenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[(2-methoxyethylamino)methyl]phenyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: CC(C)(N)CNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(F)c4)n3n2)cc1.COCCNCc1ccc(Nc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1.COc1ccc(-c2cccc3nc(Nc4ccc(CO)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Nc4ccc(N5CCN(C)CC5)cc4)nn23)cc1S(=O)(=O)CC(C)(C)C.Cn1cc(-c2cccc3nc(N)nn23)cn1.Nc1nc2cccc(-c3cnn(Cc4ccccc4)c3)n2n1
• InChI: InChI=1S/C29H36N6O3S.C23H23FN6O.C23H25N5O2.C20H18N4O2.C16H14N6.C10H10N6/c1-29(2,3)20-39(36,37)26-19-21(9-14-25(26)38-5)24-7-6-8-27-31-28(32-35(24)27)30-22-10-12-23(13-11-22)34-17-15-33(4)16-18-34;1-23(2,25)14-26-21(31)15-9-11-18(12-10-15)27-22-28-20-8-4-7-19(30(20)29-22)16-5-3-6-17(24)13-16;1-29-15-14-24-16-17-6-10-19(11-7-17)25-23-26-22-5-3-4-21(28(22)27-23)18-8-12-20(30-2)13-9-18;1-26-17-11-7-15(8-12-17)18-3-2-4-19-22-20(23-24(18)19)21-16-9-5-14(13-25)6-10-16;17-16-19-15-8-4-7-14(22(15)20-16)13-9-18-21(11-13)10-12-5-2-1-3-6-12;1-15-6-7(5-12-15)8-3-2-4-9-13-10(11)14-16(8)9/h6-14,19H,15-18,20H2,1-5H3,(H,30,32);3-13H,14,25H2,1-2H3,(H,26,31)(H,27,29);3-13,24H,14-16H2,1-2H3,(H,25,27);2-12,25H,13H2,1H3,(H,21,23);1-9,11H,10H2,(H2,17,20);2-6H,1H3,(H2,11,14)
• InChIKey: HFJZGSYPVWDYHG-UHFFFAOYSA-N
• XLogP: 18.93
• TPSA: 481.86 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 31
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2221.63
LogP ≤ 5	18.93
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)-4-methoxyphenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[(2-methoxyethylamino)methyl]phenyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of N-(2-amino-2-methylpropyl)-4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)-4-methoxyphenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[(2-methoxyethylamino)methyl]phenyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 158462869) is N-(2-amino-2-methylpropyl)-4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)-4-methoxyphenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[(2-methoxyethylamino)methyl]phenyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)-4-methoxyphenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[(2-methoxyethylamino)methyl]phenyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for N-(2-amino-2-methylpropyl)-4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)-4-methoxyphenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[(2-methoxyethylamino)methyl]phenyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC(C)(N)CNC(=O)c1ccc(Nc2nc3cccc(-c4cccc(F)c4)n3n2)cc1.COCCNCc1ccc(Nc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1.COc1ccc(-c2cccc3nc(Nc4ccc(CO)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Nc4ccc(N5CCN(C)CC5)cc4)nn23)cc1S(=O)(=O)CC(C)(C)C.Cn1cc(-c2cccc3nc(N)nn23)cn1.Nc1nc2cccc(-c3cnn(Cc4ccccc4)c3)n2n1.

What is the InChIKey of N-(2-amino-2-methylpropyl)-4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)-4-methoxyphenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[(2-methoxyethylamino)methyl]phenyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is HFJZGSYPVWDYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O3S.C23H23FN6O.C23H25N5O2.C20H18N4O2.C16H14N6.C10H10N6/c1-29(2,3)20-39(36,37)26-19-21(9-14-25(26)38-5)24-7-6-8-27-31-28(32-35(24)27)30-22-10-12-23(13-11-22)34-17-15-33(4)16-18-34;1-23(2,25)14-26-21(31)15-9-11-18(12-10-15)27-22-28-20-8-4-7-19(30(20)29-22)16-5-3-6-17(24)13-16;1-29-15-14-24-16-17-6-10-19(11-7-17)25-23-26-22-5-3-4-21(28(22)27-23)18-8-12-20(30-2)13-9-18;1-26-17-11-7-15(8-12-17)18-3-2-4-19-22-20(23-24(18)19)21-16-9-5-14(13-25)6-10-16;17-16-19-15-8-4-7-14(22(15)20-16)13-9-18-21(11-13)10-12-5-2-1-3-6-12;1-15-6-7(5-12-15)8-3-2-4-9-13-10(11)14-16(8)9/h6-14,19H,15-18,20H2,1-5H3,(H,30,32);3-13H,14,25H2,1-2H3,(H,26,31)(H,27,29);3-13,24H,14-16H2,1-2H3,(H,25,27);2-12,25H,13H2,1H3,(H,21,23);1-9,11H,10H2,(H2,17,20);2-6H,1H3,(H2,11,14).

What are the key properties of N-(2-amino-2-methylpropyl)-4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)-4-methoxyphenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[(2-methoxyethylamino)methyl]phenyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

N-(2-amino-2-methylpropyl)-4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)-4-methoxyphenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[(2-methoxyethylamino)methyl]phenyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 2221.63 g/mol, XLogP of 18.93, 31 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-methylpropyl)-4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(2,2-dimethylpropylsulfonyl)-4-methoxyphenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-[(2-methoxyethylamino)methyl]phenyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 158462869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).