methyl 2-[[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methylamino]acetate;methyl 2-[2-[4-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetate;8-[4-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[4-(4-methylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C105H130F3N33O6 — CID 161199016

About methyl 2-[[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methylamino]acetate;methyl 2-[2-[4-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetate;8-[4-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[4-(4-methylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

methyl 2-[[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methylamino]acetate;methyl 2-[2-[4-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetate;8-[4-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[4-(4-methylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 161199016) has the molecular formula C105H130F3N33O6 and a molecular weight of 2007.41 g/mol. Its IUPAC name is methyl 2-[[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methylamino]acetate;methyl 2-[2-[4-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetate;8-[4-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[4-(4-methylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: methyl 2-[[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methylamino]acetate;methyl 2-[2-[4-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetate;8-[4-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[4-(4-methylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 161199016
• Molecular Formula: C105H130F3N33O6
• Molecular Weight: 2007.41 g/mol
• Exact Mass: 2006.08
• IUPAC Name: methyl 2-[[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methylamino]acetate;methyl 2-[2-[4-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetate;8-[4-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[4-(4-methylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: COC(=O)CN1CCC2(CC1)CN(C(=O)N1CC=C(c3cccn4nc(Nc5cnn(C)c5)nc34)CC1)C2.COC(=O)CNCC1(c2ccc(C)cc2)CCN(c2cccn3nc(Nc4cnn(C)c4)nc23)CC1.Cc1ccc(C2(CCN3CCOCC3)CCN(c3cccn4nc(Nc5cnn(C)c5)nc34)CC2)cc1.Cc1ccc(C2(CNCC(F)(F)F)CCN(c3cccn4nc(Nc5cnn(C)c5)nc34)CC2)cc1
• InChI: InChI=1S/C28H36N8O.C26H33N9O3.C26H32N8O2.C25H29F3N8/c1-22-5-7-23(8-6-22)28(9-13-34-16-18-37-19-17-34)10-14-35(15-11-28)25-4-3-12-36-26(25)31-27(32-36)30-24-20-29-33(2)21-24;1-31-15-20(14-27-31)28-24-29-23-21(4-3-9-35(23)30-24)19-5-10-33(11-6-19)25(37)34-17-26(18-34)7-12-32(13-8-26)16-22(36)38-2;1-19-6-8-20(9-7-19)26(18-27-16-23(35)36-3)10-13-33(14-11-26)22-5-4-12-34-24(22)30-25(31-34)29-21-15-28-32(2)17-21;1-18-5-7-19(8-6-18)24(16-29-17-25(26,27)28)9-12-35(13-10-24)21-4-3-11-36-22(21)32-23(33-36)31-20-14-30-34(2)15-20/h3-8,12,20-21H,9-11,13-19H2,1-2H3,(H,30,32);3-5,9,14-15H,6-8,10-13,16-18H2,1-2H3,(H,28,30);4-9,12,15,17,27H,10-11,13-14,16,18H2,1-3H3,(H,29,31);3-8,11,14-15,29H,9-10,12-13,16-17H2,1-2H3,(H,31,33)
• InChIKey: UUSPBIDISKTZDL-UHFFFAOYSA-N
• XLogP: 12.78
• TPSA: 365.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2007.41
LogP ≤ 5	12.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methylamino]acetate;methyl 2-[2-[4-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetate;8-[4-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[4-(4-methylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of methyl 2-[[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methylamino]acetate;methyl 2-[2-[4-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetate;8-[4-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[4-(4-methylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 161199016) is methyl 2-[[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methylamino]acetate;methyl 2-[2-[4-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetate;8-[4-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[4-(4-methylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for methyl 2-[[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methylamino]acetate;methyl 2-[2-[4-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetate;8-[4-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[4-(4-methylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for methyl 2-[[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methylamino]acetate;methyl 2-[2-[4-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetate;8-[4-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[4-(4-methylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COC(=O)CN1CCC2(CC1)CN(C(=O)N1CC=C(c3cccn4nc(Nc5cnn(C)c5)nc34)CC1)C2.COC(=O)CNCC1(c2ccc(C)cc2)CCN(c2cccn3nc(Nc4cnn(C)c4)nc23)CC1.Cc1ccc(C2(CCN3CCOCC3)CCN(c3cccn4nc(Nc5cnn(C)c5)nc34)CC2)cc1.Cc1ccc(C2(CNCC(F)(F)F)CCN(c3cccn4nc(Nc5cnn(C)c5)nc34)CC2)cc1.

What is the InChIKey of methyl 2-[[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methylamino]acetate;methyl 2-[2-[4-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetate;8-[4-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[4-(4-methylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is UUSPBIDISKTZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N8O.C26H33N9O3.C26H32N8O2.C25H29F3N8/c1-22-5-7-23(8-6-22)28(9-13-34-16-18-37-19-17-34)10-14-35(15-11-28)25-4-3-12-36-26(25)31-27(32-36)30-24-20-29-33(2)21-24;1-31-15-20(14-27-31)28-24-29-23-21(4-3-9-35(23)30-24)19-5-10-33(11-6-19)25(37)34-17-26(18-34)7-12-32(13-8-26)16-22(36)38-2;1-19-6-8-20(9-7-19)26(18-27-16-23(35)36-3)10-13-33(14-11-26)22-5-4-12-34-24(22)30-25(31-34)29-21-15-28-32(2)17-21;1-18-5-7-19(8-6-18)24(16-29-17-25(26,27)28)9-12-35(13-10-24)21-4-3-11-36-22(21)32-23(33-36)31-20-14-30-34(2)15-20/h3-8,12,20-21H,9-11,13-19H2,1-2H3,(H,30,32);3-5,9,14-15H,6-8,10-13,16-18H2,1-2H3,(H,28,30);4-9,12,15,17,27H,10-11,13-14,16,18H2,1-3H3,(H,29,31);3-8,11,14-15,29H,9-10,12-13,16-17H2,1-2H3,(H,31,33).

What are the key properties of methyl 2-[[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methylamino]acetate;methyl 2-[2-[4-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetate;8-[4-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[4-(4-methylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

methyl 2-[[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methylamino]acetate;methyl 2-[2-[4-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetate;8-[4-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[4-(4-methylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 2007.41 g/mol, XLogP of 12.78, 27 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methylamino]acetate;methyl 2-[2-[4-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetate;8-[4-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[4-(4-methylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 161199016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).