(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

IUPAC(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
SMILESCC[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
InChIInChI=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
InChIKeyJETQAPUZCZAJPV-WLJLUPNFSA-N
MW1272.58 g/mol
LogP12.71
Rot. Bonds27

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 CID158895389
Molecular FormulaC70H85N19O5
Molecular Weight1272.58 g/mol
Exact Mass1271.70
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
SMILESCC[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
InChIInChI=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
InChIKeyJETQAPUZCZAJPV-WLJLUPNFSA-N
XLogP12.71
TPSA301.28 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds27
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001272.58
LogP ≤ 512.71
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze (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 with MolForge

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Related Compounds

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(4-methylphenyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)-2-propoxypyridine-3-carboxamide;2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 159182843
1,2-difluoro-4-propan-2-ylbenzene;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-fluoro-3-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 162014760
5-methyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56986157
5-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 57222528
(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
CID 70217420
(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
CID 70220214
(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
CID 70220231
2-[[4-[[4-(Furan-3-yl)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,3-diol
CID 70220672
2-[[4-[[6-(Furan-2-yl)-3-pyridinyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,3-diol
CID 70222181
(2S,3S)-3-[[4-[[6-(furan-3-yl)-3-pyridinyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,2,4-triol
CID 70350188
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
CID 77796051
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
CID 77797015

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).