2-[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol

C18H28N6O — CID 131916160

IUPAC2-[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CCN(Cc3cnn4cccnc34)CC2)CC1
InChIInChI=1S/C18H28N6O/c25-13-12-21-8-10-23(11-9-21)17-2-6-22(7-3-17)15-16-14-20-24-5-1-4-19-18(16)24/h1,4-5,14,17,25H,2-3,6-13,15H2
InChIKeyQICWBTZEWKQWCM-UHFFFAOYSA-N
MW344.46 g/mol
LogP0.30
Rot. Bonds5

About 2-[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol

2-[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 131916160) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol
PubChem CID131916160
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name2-[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CCN(Cc3cnn4cccnc34)CC2)CC1
InChIInChI=1S/C18H28N6O/c25-13-12-21-8-10-23(11-9-21)17-2-6-22(7-3-17)15-16-14-20-24-5-1-4-19-18(16)24/h1,4-5,14,17,25H,2-3,6-13,15H2
InChIKeyQICWBTZEWKQWCM-UHFFFAOYSA-N
XLogP0.30
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol (CID 131916160) is 2-[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol is OCCN1CCN(C2CCN(Cc3cnn4cccnc34)CC2)CC1.
What is the InChIKey of 2-[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is QICWBTZEWKQWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c25-13-12-21-8-10-23(11-9-21)17-2-6-22(7-3-17)15-16-14-20-24-5-1-4-19-18(16)24/h1,4-5,14,17,25H,2-3,6-13,15H2.
What are the key properties of 2-[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 344.46 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 131916160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).