N-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C23H33N7O — CID 71731769

IUPACN-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12
InChIInChI=1S/C23H33N7O/c1-16(2)19-15-25-30-21(19)26-23(31-18-10-12-29(5)13-11-18)27-22(30)24-14-17-8-6-7-9-20(17)28(3)4/h6-9,15-16,18H,10-14H2,1-5H3,(H,24,26,27)
InChIKeyJYPAWUMVEPMZMD-UHFFFAOYSA-N
MW423.57 g/mol
LogP3.40
Rot. Bonds7

About N-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 71731769) has the molecular formula C23H33N7O and a molecular weight of 423.57 g/mol. Its IUPAC name is N-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID71731769
Molecular FormulaC23H33N7O
Molecular Weight423.57 g/mol
Exact Mass423.27
IUPAC NameN-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12
InChIInChI=1S/C23H33N7O/c1-16(2)19-15-25-30-21(19)26-23(31-18-10-12-29(5)13-11-18)27-22(30)24-14-17-8-6-7-9-20(17)28(3)4/h6-9,15-16,18H,10-14H2,1-5H3,(H,24,26,27)
InChIKeyJYPAWUMVEPMZMD-UHFFFAOYSA-N
XLogP3.40
TPSA70.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.57
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 71731769) is N-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12.
What is the InChIKey of N-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is JYPAWUMVEPMZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O/c1-16(2)19-15-25-30-21(19)26-23(31-18-10-12-29(5)13-11-18)27-22(30)24-14-17-8-6-7-9-20(17)28(3)4/h6-9,15-16,18H,10-14H2,1-5H3,(H,24,26,27).
What are the key properties of N-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 423.57 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 71731769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).