1-methyl-6-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C16H25N5O2 — CID 137252345

IUPAC1-methyl-6-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)COC1CCN(Cc2nc3c(cnn3C)c(=O)[nH]2)CC1
InChIInChI=1S/C16H25N5O2/c1-11(2)10-23-12-4-6-21(7-5-12)9-14-18-15-13(16(22)19-14)8-17-20(15)3/h8,11-12H,4-7,9-10H2,1-3H3,(H,18,19,22)
InChIKeyDLRGFVIWQNUIGL-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.29
Rot. Bonds5

About 1-methyl-6-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-6-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137252345) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-methyl-6-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137252345
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-methyl-6-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)COC1CCN(Cc2nc3c(cnn3C)c(=O)[nH]2)CC1
InChIInChI=1S/C16H25N5O2/c1-11(2)10-23-12-4-6-21(7-5-12)9-14-18-15-13(16(22)19-14)8-17-20(15)3/h8,11-12H,4-7,9-10H2,1-3H3,(H,18,19,22)
InChIKeyDLRGFVIWQNUIGL-UHFFFAOYSA-N
XLogP1.29
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137252345) is 1-methyl-6-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)COC1CCN(Cc2nc3c(cnn3C)c(=O)[nH]2)CC1.
What is the InChIKey of 1-methyl-6-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DLRGFVIWQNUIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11(2)10-23-12-4-6-21(7-5-12)9-14-18-15-13(16(22)19-14)8-17-20(15)3/h8,11-12H,4-7,9-10H2,1-3H3,(H,18,19,22).
What are the key properties of 1-methyl-6-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 319.41 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137252345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).