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

C73H90N20O4 — CID 159816849

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

(2S)-2-[[4-[[4-(furan-2-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol (PubChem CID 159816849) has the molecular formula C73H90N20O4 and a molecular weight of 1311.66 g/mol. Its IUPAC name is (2S)-2-[[4-[[4-(furan-2-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol.

Molecular Properties

• Compound Name: (2S)-2-[[4-[[4-(furan-2-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol
• PubChem CID: 159816849
• Molecular Formula: C73H90N20O4
• Molecular Weight: 1311.66 g/mol
• Exact Mass: 1310.75
• IUPAC Name: (2S)-2-[[4-[[4-(furan-2-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol
• SMILES: CC(C)c1cnn2c(NCc3ccc(-c4ccccc4)nc3)nc(N[C@@H](CO)C(C)C)nc12.CC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(N[C@@H](CO)C(C)C)nc12.CC[C@@H](CO)Nc1nc(NCc2ccc(-c3ccco3)cc2)n2ncc(C(C)C)c2n1
• InChI: InChI=1S/2C25H31N7O.C23H28N6O2/c1-16(2)20-14-28-32-23(20)30-24(29-22(15-33)17(3)4)31-25(32)27-13-18-8-10-19(11-9-18)21-7-5-6-12-26-21;1-16(2)20-14-28-32-23(20)30-24(29-22(15-33)17(3)4)31-25(32)27-13-18-10-11-21(26-12-18)19-8-6-5-7-9-19;1-4-18(14-30)26-22-27-21-19(15(2)3)13-25-29(21)23(28-22)24-12-16-7-9-17(10-8-16)20-6-5-11-31-20/h2*5-12,14,16-17,22,33H,13,15H2,1-4H3,(H2,27,29,30,31);5-11,13,15,18,30H,4,12,14H2,1-3H3,(H2,24,26,27,28)/t2*22-;18-/m000/s1
• InChIKey: NLSIZSLOVWIDLW-MSCCGGJLSA-N
• XLogP: 13.00
• TPSA: 301.03 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1311.66
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of (2S)-2-[[4-[[4-(furan-2-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol (CID 159816849) is (2S)-2-[[4-[[4-(furan-2-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol.

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

The canonical SMILES for (2S)-2-[[4-[[4-(furan-2-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol is CC(C)c1cnn2c(NCc3ccc(-c4ccccc4)nc3)nc(N[C@@H](CO)C(C)C)nc12.CC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(N[C@@H](CO)C(C)C)nc12.CC[C@@H](CO)Nc1nc(NCc2ccc(-c3ccco3)cc2)n2ncc(C(C)C)c2n1.

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

The InChIKey is NLSIZSLOVWIDLW-MSCCGGJLSA-N. The full InChI is InChI=1S/2C25H31N7O.C23H28N6O2/c1-16(2)20-14-28-32-23(20)30-24(29-22(15-33)17(3)4)31-25(32)27-13-18-8-10-19(11-9-18)21-7-5-6-12-26-21;1-16(2)20-14-28-32-23(20)30-24(29-22(15-33)17(3)4)31-25(32)27-13-18-10-11-21(26-12-18)19-8-6-5-7-9-19;1-4-18(14-30)26-22-27-21-19(15(2)3)13-25-29(21)23(28-22)24-12-16-7-9-17(10-8-16)20-6-5-11-31-20/h2*5-12,14,16-17,22,33H,13,15H2,1-4H3,(H2,27,29,30,31);5-11,13,15,18,30H,4,12,14H2,1-3H3,(H2,24,26,27,28)/t2*22-;18-/m000/s1.

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

(2S)-2-[[4-[[4-(furan-2-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol has a molecular weight of 1311.66 g/mol, XLogP of 13.00, 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-2-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 159816849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).