3-[[5-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;3-[[5-[4-[2-(methylamino)ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol

C48H59ClF6N20O6 — CID 167565086

About 3-[[5-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;3-[[5-[4-[2-(methylamino)ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol

3-[[5-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;3-[[5-[4-[2-(methylamino)ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol (PubChem CID 167565086) has the molecular formula C48H59ClF6N20O6 and a molecular weight of 1161.57 g/mol. Its IUPAC name is 3-[[5-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;3-[[5-[4-[2-(methylamino)ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol.

Molecular Properties

• Compound Name: 3-[[5-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;3-[[5-[4-[2-(methylamino)ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol
• PubChem CID: 167565086
• Molecular Formula: C48H59ClF6N20O6
• Molecular Weight: 1161.57 g/mol
• Exact Mass: 1160.45
• IUPAC Name: 3-[[5-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;3-[[5-[4-[2-(methylamino)ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol
• SMILES: CN(CCN1CCN(c2cnc(OCCCO)c(C(F)(F)F)c2)CC1)c1cc2nc(-c3ncco3)nn2c(N)n1.CNCCN1CCN(c2cnc(OCCCO)c(C(F)(F)F)c2)CC1.Nc1nc(Cl)cc2nc(-c3ncco3)nn12
• InChI: InChI=1S/C24H29F3N10O3.C16H25F3N4O2.C8H5ClN6O/c1-34(18-14-19-31-20(22-29-3-12-40-22)33-37(19)23(28)32-18)4-5-35-6-8-36(9-7-35)16-13-17(24(25,26)27)21(30-15-16)39-11-2-10-38;1-20-3-4-22-5-7-23(8-6-22)13-11-14(16(17,18)19)15(21-12-13)25-10-2-9-24;9-4-3-5-13-6(7-11-1-2-16-7)14-15(5)8(10)12-4/h3,12-15,38H,2,4-11H2,1H3,(H2,28,32);11-12,20,24H,2-10H2,1H3;1-3H,(H2,10,12)
• InChIKey: FEDGQPGWUYSHRR-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 303.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1161.57
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;3-[[5-[4-[2-(methylamino)ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol?

The IUPAC name of 3-[[5-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;3-[[5-[4-[2-(methylamino)ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol (CID 167565086) is 3-[[5-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;3-[[5-[4-[2-(methylamino)ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol.

What is the SMILES notation for 3-[[5-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;3-[[5-[4-[2-(methylamino)ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol?

The canonical SMILES for 3-[[5-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;3-[[5-[4-[2-(methylamino)ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol is CN(CCN1CCN(c2cnc(OCCCO)c(C(F)(F)F)c2)CC1)c1cc2nc(-c3ncco3)nn2c(N)n1.CNCCN1CCN(c2cnc(OCCCO)c(C(F)(F)F)c2)CC1.Nc1nc(Cl)cc2nc(-c3ncco3)nn12.

What is the InChIKey of 3-[[5-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;3-[[5-[4-[2-(methylamino)ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol?

The InChIKey is FEDGQPGWUYSHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N10O3.C16H25F3N4O2.C8H5ClN6O/c1-34(18-14-19-31-20(22-29-3-12-40-22)33-37(19)23(28)32-18)4-5-35-6-8-36(9-7-35)16-13-17(24(25,26)27)21(30-15-16)39-11-2-10-38;1-20-3-4-22-5-7-23(8-6-22)13-11-14(16(17,18)19)15(21-12-13)25-10-2-9-24;9-4-3-5-13-6(7-11-1-2-16-7)14-15(5)8(10)12-4/h3,12-15,38H,2,4-11H2,1H3,(H2,28,32);11-12,20,24H,2-10H2,1H3;1-3H,(H2,10,12).

What are the key properties of 3-[[5-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;3-[[5-[4-[2-(methylamino)ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol?

3-[[5-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;3-[[5-[4-[2-(methylamino)ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol has a molecular weight of 1161.57 g/mol, XLogP of 4.01, 19 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;3-[[5-[4-[2-(methylamino)ethyl]piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol is sourced from PubChem (CID 167565086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).