8-bromo-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[1-(4-chlorophenyl)cyclohexyl]-2-morpholin-4-ylethanol;1-[4-(4-chlorophenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol

C55H68BrCl2N15O4 — CID 159270240

About 8-bromo-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[1-(4-chlorophenyl)cyclohexyl]-2-morpholin-4-ylethanol;1-[4-(4-chlorophenyl)-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-bromo-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[1-(4-chlorophenyl)cyclohexyl]-2-morpholin-4-ylethanol;1-[4-(4-chlorophenyl)-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 159270240) has the molecular formula C55H68BrCl2N15O4 and a molecular weight of 1154.06 g/mol. Its IUPAC name is 8-bromo-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[1-(4-chlorophenyl)cyclohexyl]-2-morpholin-4-ylethanol;1-[4-(4-chlorophenyl)-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-bromo-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[1-(4-chlorophenyl)cyclohexyl]-2-morpholin-4-ylethanol;1-[4-(4-chlorophenyl)-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: 159270240
• Molecular Formula: C55H68BrCl2N15O4
• Molecular Weight: 1154.06 g/mol
• Exact Mass: 1151.41
• IUPAC Name: 8-bromo-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[1-(4-chlorophenyl)cyclohexyl]-2-morpholin-4-ylethanol;1-[4-(4-chlorophenyl)-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: Cn1cc(Nc2nc3c(Br)cccn3n2)cn1.Cn1cc(Nc2nc3c(N4CCC(c5ccc(Cl)cc5)(C(O)CN5CCOCC5)CC4)cccn3n2)cn1.OC(CN1CCOCC1)C1(c2ccc(Cl)cc2)CCCCC1
• InChI: InChI=1S/C27H33ClN8O2.C18H26ClNO2.C10H9BrN6/c1-33-18-22(17-29-33)30-26-31-25-23(3-2-10-36(25)32-26)35-11-8-27(9-12-35,20-4-6-21(28)7-5-20)24(37)19-34-13-15-38-16-14-34;19-16-6-4-15(5-7-16)18(8-2-1-3-9-18)17(21)14-20-10-12-22-13-11-20;1-16-6-7(5-12-16)13-10-14-9-8(11)3-2-4-17(9)15-10/h2-7,10,17-18,24,37H,8-9,11-16,19H2,1H3,(H,30,32);4-7,17,21H,1-3,8-14H2;2-6H,1H3,(H,13,15)
• InChIKey: KXPSIVWSVPHCJM-UHFFFAOYSA-N
• XLogP: 8.30
• TPSA: 188.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1154.06
LogP ≤ 5	8.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[1-(4-chlorophenyl)cyclohexyl]-2-morpholin-4-ylethanol;1-[4-(4-chlorophenyl)-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-bromo-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[1-(4-chlorophenyl)cyclohexyl]-2-morpholin-4-ylethanol;1-[4-(4-chlorophenyl)-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 159270240) is 8-bromo-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[1-(4-chlorophenyl)cyclohexyl]-2-morpholin-4-ylethanol;1-[4-(4-chlorophenyl)-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-bromo-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[1-(4-chlorophenyl)cyclohexyl]-2-morpholin-4-ylethanol;1-[4-(4-chlorophenyl)-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-bromo-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[1-(4-chlorophenyl)cyclohexyl]-2-morpholin-4-ylethanol;1-[4-(4-chlorophenyl)-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 Cn1cc(Nc2nc3c(Br)cccn3n2)cn1.Cn1cc(Nc2nc3c(N4CCC(c5ccc(Cl)cc5)(C(O)CN5CCOCC5)CC4)cccn3n2)cn1.OC(CN1CCOCC1)C1(c2ccc(Cl)cc2)CCCCC1.

What is the InChIKey of 8-bromo-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[1-(4-chlorophenyl)cyclohexyl]-2-morpholin-4-ylethanol;1-[4-(4-chlorophenyl)-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 KXPSIVWSVPHCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN8O2.C18H26ClNO2.C10H9BrN6/c1-33-18-22(17-29-33)30-26-31-25-23(3-2-10-36(25)32-26)35-11-8-27(9-12-35,20-4-6-21(28)7-5-20)24(37)19-34-13-15-38-16-14-34;19-16-6-4-15(5-7-16)18(8-2-1-3-9-18)17(21)14-20-10-12-22-13-11-20;1-16-6-7(5-12-16)13-10-14-9-8(11)3-2-4-17(9)15-10/h2-7,10,17-18,24,37H,8-9,11-16,19H2,1H3,(H,30,32);4-7,17,21H,1-3,8-14H2;2-6H,1H3,(H,13,15).

What are the key properties of 8-bromo-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[1-(4-chlorophenyl)cyclohexyl]-2-morpholin-4-ylethanol;1-[4-(4-chlorophenyl)-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-bromo-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[1-(4-chlorophenyl)cyclohexyl]-2-morpholin-4-ylethanol;1-[4-(4-chlorophenyl)-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 1154.06 g/mol, XLogP of 8.30, 13 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[1-(4-chlorophenyl)cyclohexyl]-2-morpholin-4-ylethanol;1-[4-(4-chlorophenyl)-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 159270240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).