2-[1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol

C16H25N5O — CID 56890295

IUPAC2-[1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol
SMILESCCCc1nc(N2CCC(CCO)CC2)c2cnn(C)c2n1
InChIInChI=1S/C16H25N5O/c1-3-4-14-18-15-13(11-17-20(15)2)16(19-14)21-8-5-12(6-9-21)7-10-22/h11-12,22H,3-10H2,1-2H3
InChIKeyWFSADOHDEULPRP-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.91
Rot. Bonds5

About 2-[1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol

2-[1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol (PubChem CID 56890295) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol
PubChem CID56890295
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-[1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol
SMILESCCCc1nc(N2CCC(CCO)CC2)c2cnn(C)c2n1
InChIInChI=1S/C16H25N5O/c1-3-4-14-18-15-13(11-17-20(15)2)16(19-14)21-8-5-12(6-9-21)7-10-22/h11-12,22H,3-10H2,1-2H3
InChIKeyWFSADOHDEULPRP-UHFFFAOYSA-N
XLogP1.91
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol (CID 56890295) is 2-[1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol is CCCc1nc(N2CCC(CCO)CC2)c2cnn(C)c2n1.
What is the InChIKey of 2-[1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol?
The InChIKey is WFSADOHDEULPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-3-4-14-18-15-13(11-17-20(15)2)16(19-14)21-8-5-12(6-9-21)7-10-22/h11-12,22H,3-10H2,1-2H3.
What are the key properties of 2-[1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol?
2-[1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol has a molecular weight of 303.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 56890295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).