(2S)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol

C₇₀H₈₅N₁₉O₅ — CID 158895389

About (2S)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol

(2S)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol (PubChem CID 158895389) has the molecular formula C₇₀H₈₅N₁₉O₅ and a molecular weight of 1272.58 g/mol. Its IUPAC name is (2S)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol.

Molecular Properties

• Compound Name: (2S)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol
• PubChem CID: 158895389
• Molecular Formula: C₇₀H₈₅N₁₉O₅
• Molecular Weight: 1272.58 g/mol
• Exact Mass: 1271.70
• IUPAC Name: (2S)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol
• SMILES: CC[C@@H](CO)Nc1nc(NCc2ccc(-c3ccoc3)cc2)n2ncc(C(C)C)c2n1.CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccc3)nc2)n2ncc(C(C)C)c2n1.CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccoc3)cc2)n2ncc(C(C)C)c2n1
• InChI: InChI=1S/C24H29N7O.2C23H28N6O2/c1-4-19(15-32)28-23-29-22-20(16(2)3)14-27-31(22)24(30-23)26-13-17-10-11-21(25-12-17)18-8-6-5-7-9-18;2*1-4-19(13-30)26-22-27-21-20(15(2)3)12-25-29(21)23(28-22)24-11-16-5-7-17(8-6-16)18-9-10-31-14-18/h5-12,14,16,19,32H,4,13,15H2,1-3H3,(H2,26,28,29,30);2*5-10,12,14-15,19,30H,4,11,13H2,1-3H3,(H2,24,26,27,28)/t3*19-/m110/s1
• InChIKey: JETQAPUZCZAJPV-WLJLUPNFSA-N
• XLogP: 12.71
• TPSA: 301.28 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1272.58
LogP ≤ 5	12.71
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol?

The IUPAC name of (2S)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol (CID 158895389) is (2S)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol.

What is the SMILES notation for (2S)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol?

The canonical SMILES for (2S)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol is CC[C@@H](CO)Nc1nc(NCc2ccc(-c3ccoc3)cc2)n2ncc(C(C)C)c2n1.CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccc3)nc2)n2ncc(C(C)C)c2n1.CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccoc3)cc2)n2ncc(C(C)C)c2n1.

What is the InChIKey of (2S)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol?

The InChIKey is JETQAPUZCZAJPV-WLJLUPNFSA-N. The full InChI is InChI=1S/C24H29N7O.2C23H28N6O2/c1-4-19(15-32)28-23-29-22-20(16(2)3)14-27-31(22)24(30-23)26-13-17-10-11-21(25-12-17)18-8-6-5-7-9-18;2*1-4-19(13-30)26-22-27-21-20(15(2)3)12-25-29(21)23(28-22)24-11-16-5-7-17(8-6-16)18-9-10-31-14-18/h5-12,14,16,19,32H,4,13,15H2,1-3H3,(H2,26,28,29,30);2*5-10,12,14-15,19,30H,4,11,13H2,1-3H3,(H2,24,26,27,28)/t3*19-/m110/s1.

What are the key properties of (2S)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol?

(2S)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol has a molecular weight of 1272.58 g/mol, XLogP of 12.71, 27 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[[4-(furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 158895389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158895389 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.