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

C20H33N7O — CID 166594743

IUPAC2-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCC3CCCN3C)nc(OC3CCN(C)CC3)nc12
InChIInChI=1S/C20H33N7O/c1-14(2)17-13-22-27-18(17)23-20(28-16-7-10-25(3)11-8-16)24-19(27)21-12-15-6-5-9-26(15)4/h13-16H,5-12H2,1-4H3,(H,21,23,24)
InChIKeyXCILXLUBNUIVJH-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.23
Rot. Bonds6

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

2-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 166594743) has the molecular formula C20H33N7O and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID166594743
Molecular FormulaC20H33N7O
Molecular Weight387.53 g/mol
Exact Mass387.27
IUPAC Name2-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCC3CCCN3C)nc(OC3CCN(C)CC3)nc12
InChIInChI=1S/C20H33N7O/c1-14(2)17-13-22-27-18(17)23-20(28-16-7-10-25(3)11-8-16)24-19(27)21-12-15-6-5-9-26(15)4/h13-16H,5-12H2,1-4H3,(H,21,23,24)
InChIKeyXCILXLUBNUIVJH-UHFFFAOYSA-N
XLogP2.23
TPSA70.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 166594743) is 2-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(NCC3CCCN3C)nc(OC3CCN(C)CC3)nc12.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is XCILXLUBNUIVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N7O/c1-14(2)17-13-22-27-18(17)23-20(28-16-7-10-25(3)11-8-16)24-19(27)21-12-15-6-5-9-26(15)4/h13-16H,5-12H2,1-4H3,(H,21,23,24).
What are the key properties of 2-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
2-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 387.53 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 166594743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).