2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol

C13H19N5O — CID 62357139

IUPAC2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESCn1ncc2c(N3CCCC(CCO)C3)ncnc21
InChIInChI=1S/C13H19N5O/c1-17-12-11(7-16-17)13(15-9-14-12)18-5-2-3-10(8-18)4-6-19/h7,9-10,19H,2-6,8H2,1H3
InChIKeyXBPXRUZEOHPFJA-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.96
Rot. Bonds3

About 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol

2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol (PubChem CID 62357139) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
PubChem CID62357139
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESCn1ncc2c(N3CCCC(CCO)C3)ncnc21
InChIInChI=1S/C13H19N5O/c1-17-12-11(7-16-17)13(15-9-14-12)18-5-2-3-10(8-18)4-6-19/h7,9-10,19H,2-6,8H2,1H3
InChIKeyXBPXRUZEOHPFJA-UHFFFAOYSA-N
XLogP0.96
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol (CID 62357139) is 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol is Cn1ncc2c(N3CCCC(CCO)C3)ncnc21.
What is the InChIKey of 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol?
The InChIKey is XBPXRUZEOHPFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-17-12-11(7-16-17)13(15-9-14-12)18-5-2-3-10(8-18)4-6-19/h7,9-10,19H,2-6,8H2,1H3.
What are the key properties of 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol?
2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol has a molecular weight of 261.33 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 62357139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).