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

C21H25N7O3 — CID 70222181

IUPAC2-[[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
SMILESCC(C)c1cnn2c(NCc3ccc(-c4ccco4)nc3)nc(NC(CO)CO)nc12
InChIInChI=1S/C21H25N7O3/c1-13(2)16-10-24-28-19(16)26-20(25-15(11-29)12-30)27-21(28)23-9-14-5-6-17(22-8-14)18-4-3-7-31-18/h3-8,10,13,15,29-30H,9,11-12H2,1-2H3,(H2,23,25,26,27)
InChIKeyAKZOXMJGQCWGSB-UHFFFAOYSA-N
MW423.48 g/mol
LogP2.28
Rot. Bonds9

About 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

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 (PubChem CID 70222181) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID70222181
Molecular FormulaC21H25N7O3
Molecular Weight423.48 g/mol
Exact Mass423.20
IUPAC Name2-[[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
SMILESCC(C)c1cnn2c(NCc3ccc(-c4ccco4)nc3)nc(NC(CO)CO)nc12
InChIInChI=1S/C21H25N7O3/c1-13(2)16-10-24-28-19(16)26-20(25-15(11-29)12-30)27-21(28)23-9-14-5-6-17(22-8-14)18-4-3-7-31-18/h3-8,10,13,15,29-30H,9,11-12H2,1-2H3,(H2,23,25,26,27)
InChIKeyAKZOXMJGQCWGSB-UHFFFAOYSA-N
XLogP2.28
TPSA133.63 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cnn2c(NCc3ccc(-c4ccco4)nc3)nc(NC(CO)CO)nc12.
What is the InChIKey of 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?
The InChIKey is AKZOXMJGQCWGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3/c1-13(2)16-10-24-28-19(16)26-20(25-15(11-29)12-30)27-21(28)23-9-14-5-6-17(22-8-14)18-4-3-7-31-18/h3-8,10,13,15,29-30H,9,11-12H2,1-2H3,(H2,23,25,26,27).
What are the key properties of 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?
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 has a molecular weight of 423.48 g/mol, XLogP of 2.28, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70222181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).