8-[4-(aminomethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(dimethylamino)-1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]ethanol;[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol;1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol

C100H125N31O4 — CID 161307289

About 8-[4-(aminomethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(dimethylamino)-1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]ethanol;[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol;1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol

8-[4-(aminomethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(dimethylamino)-1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]ethanol;[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol;1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol (PubChem CID 161307289) has the molecular formula C100H125N31O4 and a molecular weight of 1825.31 g/mol. Its IUPAC name is 8-[4-(aminomethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(dimethylamino)-1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]ethanol;[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol;1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol.

Molecular Properties

• Compound Name: 8-[4-(aminomethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(dimethylamino)-1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]ethanol;[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol;1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol
• PubChem CID: 161307289
• Molecular Formula: C100H125N31O4
• Molecular Weight: 1825.31 g/mol
• Exact Mass: 1824.05
• IUPAC Name: 8-[4-(aminomethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(dimethylamino)-1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]ethanol;[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol;1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol
• SMILES: Cc1ccc(C2(C(O)CN(C)C)CCN(c3cccn4nc(Nc5cnn(C)c5)nc34)CC2)cc1.Cc1ccc(C2(C(O)CN3CCOCC3)CCN(c3cccn4nc(Nc5cnn(C)c5)nc34)CC2)cc1.Cc1ccc(C2(CN)CCN(c3cccn4nc(Nc5cnn(C)c5)nc34)CC2)cc1.Cc1ccc(C2(CO)CCN(c3cccn4nc(Nc5cnn(C)c5)nc34)CC2)cc1
• InChI: InChI=1S/C28H36N8O2.C26H34N8O.C23H28N8.C23H27N7O/c1-21-5-7-22(8-6-21)28(25(37)20-34-14-16-38-17-15-34)9-12-35(13-10-28)24-4-3-11-36-26(24)31-27(32-36)30-23-18-29-33(2)19-23;1-19-7-9-20(10-8-19)26(23(35)18-31(2)3)11-14-33(15-12-26)22-6-5-13-34-24(22)29-25(30-34)28-21-16-27-32(4)17-21;1-17-5-7-18(8-6-17)23(16-24)9-12-30(13-10-23)20-4-3-11-31-21(20)27-22(28-31)26-19-14-25-29(2)15-19;1-17-5-7-18(8-6-17)23(16-31)9-12-29(13-10-23)20-4-3-11-30-21(20)26-22(27-30)25-19-14-24-28(2)15-19/h3-8,11,18-19,25,37H,9-10,12-17,20H2,1-2H3,(H,30,32);5-10,13,16-17,23,35H,11-12,14-15,18H2,1-4H3,(H,28,30);3-8,11,14-15H,9-10,12-13,16,24H2,1-2H3,(H,26,28);3-8,11,14-15,31H,9-10,12-13,16H2,1-2H3,(H,25,27)
• InChIKey: VIKRJIZULOISHO-UHFFFAOYSA-N
• XLogP: 11.78
• TPSA: 355.54 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1825.31
LogP ≤ 5	11.78
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 8-[4-(aminomethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(dimethylamino)-1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]ethanol;[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol;1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol?

The IUPAC name of 8-[4-(aminomethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(dimethylamino)-1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]ethanol;[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol;1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol (CID 161307289) is 8-[4-(aminomethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(dimethylamino)-1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]ethanol;[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol;1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol.

What is the SMILES notation for 8-[4-(aminomethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(dimethylamino)-1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]ethanol;[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol;1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol?

The canonical SMILES for 8-[4-(aminomethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(dimethylamino)-1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]ethanol;[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol;1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol is Cc1ccc(C2(C(O)CN(C)C)CCN(c3cccn4nc(Nc5cnn(C)c5)nc34)CC2)cc1.Cc1ccc(C2(C(O)CN3CCOCC3)CCN(c3cccn4nc(Nc5cnn(C)c5)nc34)CC2)cc1.Cc1ccc(C2(CN)CCN(c3cccn4nc(Nc5cnn(C)c5)nc34)CC2)cc1.Cc1ccc(C2(CO)CCN(c3cccn4nc(Nc5cnn(C)c5)nc34)CC2)cc1.

What is the InChIKey of 8-[4-(aminomethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(dimethylamino)-1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]ethanol;[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol;1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol?

The InChIKey is VIKRJIZULOISHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N8O2.C26H34N8O.C23H28N8.C23H27N7O/c1-21-5-7-22(8-6-21)28(25(37)20-34-14-16-38-17-15-34)9-12-35(13-10-28)24-4-3-11-36-26(24)31-27(32-36)30-23-18-29-33(2)19-23;1-19-7-9-20(10-8-19)26(23(35)18-31(2)3)11-14-33(15-12-26)22-6-5-13-34-24(22)29-25(30-34)28-21-16-27-32(4)17-21;1-17-5-7-18(8-6-17)23(16-24)9-12-30(13-10-23)20-4-3-11-31-21(20)27-22(28-31)26-19-14-25-29(2)15-19;1-17-5-7-18(8-6-17)23(16-31)9-12-29(13-10-23)20-4-3-11-30-21(20)26-22(27-30)25-19-14-24-28(2)15-19/h3-8,11,18-19,25,37H,9-10,12-17,20H2,1-2H3,(H,30,32);5-10,13,16-17,23,35H,11-12,14-15,18H2,1-4H3,(H,28,30);3-8,11,14-15H,9-10,12-13,16,24H2,1-2H3,(H,26,28);3-8,11,14-15,31H,9-10,12-13,16H2,1-2H3,(H,25,27).

What are the key properties of 8-[4-(aminomethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(dimethylamino)-1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]ethanol;[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol;1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol?

8-[4-(aminomethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(dimethylamino)-1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]ethanol;[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol;1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol has a molecular weight of 1825.31 g/mol, XLogP of 11.78, 24 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(aminomethyl)-4-(4-methylphenyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(dimethylamino)-1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]ethanol;[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol;1-[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol is sourced from PubChem (CID 161307289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).