7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-(5-propoxy-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

C70H88F4N30O7 — CID 167610606

About 7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-(5-propoxy-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-(5-propoxy-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (PubChem CID 167610606) has the molecular formula C70H88F4N30O7 and a molecular weight of 1540.69 g/mol. Its IUPAC name is 7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-(5-propoxy-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.

Molecular Properties

• Compound Name: 7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-(5-propoxy-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
• PubChem CID: 167610606
• Molecular Formula: C70H88F4N30O7
• Molecular Weight: 1540.69 g/mol
• Exact Mass: 1539.76
• IUPAC Name: 7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-(5-propoxy-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
• SMILES: CCCOc1ccc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)nc1.CCCOc1ncc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)cc1C(F)(F)F.[2H]C([2H])([2H])OCCOc1cnc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)c(F)c1
• InChI: InChI=1S/C24H29F3N10O2.C23H29FN10O3.C23H30N10O2/c1-3-11-38-21-17(24(25,26)27)13-16(15-30-21)36-9-7-35(8-10-36)6-5-34(2)18-14-19-31-20(22-29-4-12-39-22)33-37(19)23(28)32-18;1-31(18-14-19-28-20(22-26-3-10-37-22)30-34(19)23(25)29-18)4-5-32-6-8-33(9-7-32)21-17(24)13-16(15-27-21)36-12-11-35-2;1-3-13-34-17-4-5-18(26-16-17)32-11-9-31(10-12-32)8-7-30(2)19-15-20-27-21(22-25-6-14-35-22)29-33(20)23(24)28-19/h4,12-15H,3,5-11H2,1-2H3,(H2,28,32);3,10,13-15H,4-9,11-12H2,1-2H3,(H2,25,29);4-6,14-16H,3,7-13H2,1-2H3,(H2,24,28)/i;2D3
• InChIKey: KZKRVELSRCMCHT-KLPANOOASA-N
• XLogP: 5.81
• TPSA: 390.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 37
• Rotatable Bonds: 29
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1540.69
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-(5-propoxy-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?

The IUPAC name of 7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-(5-propoxy-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (CID 167610606) is 7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-(5-propoxy-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.

What is the SMILES notation for 7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-(5-propoxy-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?

The canonical SMILES for 7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-(5-propoxy-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is CCCOc1ccc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)nc1.CCCOc1ncc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)cc1C(F)(F)F.[2H]C([2H])([2H])OCCOc1cnc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)c(F)c1.

What is the InChIKey of 7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-(5-propoxy-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?

The InChIKey is KZKRVELSRCMCHT-KLPANOOASA-N. The full InChI is InChI=1S/C24H29F3N10O2.C23H29FN10O3.C23H30N10O2/c1-3-11-38-21-17(24(25,26)27)13-16(15-30-21)36-9-7-35(8-10-36)6-5-34(2)18-14-19-31-20(22-29-4-12-39-22)33-37(19)23(28)32-18;1-31(18-14-19-28-20(22-26-3-10-37-22)30-34(19)23(25)29-18)4-5-32-6-8-33(9-7-32)21-17(24)13-16(15-27-21)36-12-11-35-2;1-3-13-34-17-4-5-18(26-16-17)32-11-9-31(10-12-32)8-7-30(2)19-15-20-27-21(22-25-6-14-35-22)29-33(20)23(24)28-19/h4,12-15H,3,5-11H2,1-2H3,(H2,28,32);3,10,13-15H,4-9,11-12H2,1-2H3,(H2,25,29);4-6,14-16H,3,7-13H2,1-2H3,(H2,24,28)/i;2D3;.

What are the key properties of 7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-(5-propoxy-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?

7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-(5-propoxy-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine has a molecular weight of 1540.69 g/mol, XLogP of 5.81, 29 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[2-[4-[3-fluoro-5-[2-(trideuteriomethoxy)ethoxy]-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-(5-propoxy-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is sourced from PubChem (CID 167610606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).