2-[4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol

C18H20N4O — CID 24824065

IUPAC2-[4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(Cc2cnn3ccccc23)CC1
InChIInChI=1S/C18H20N4O/c23-18-7-2-1-6-17(18)21-11-9-20(10-12-21)14-15-13-19-22-8-4-3-5-16(15)22/h1-8,13,23H,9-12,14H2
InChIKeyALLYNSCMTRSFNH-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.36
Rot. Bonds3

About 2-[4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol

2-[4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol (PubChem CID 24824065) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol
PubChem CID24824065
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-[4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(Cc2cnn3ccccc23)CC1
InChIInChI=1S/C18H20N4O/c23-18-7-2-1-6-17(18)21-11-9-20(10-12-21)14-15-13-19-22-8-4-3-5-16(15)22/h1-8,13,23H,9-12,14H2
InChIKeyALLYNSCMTRSFNH-UHFFFAOYSA-N
XLogP2.36
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol?
The IUPAC name of 2-[4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol (CID 24824065) is 2-[4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol is Oc1ccccc1N1CCN(Cc2cnn3ccccc23)CC1.
What is the InChIKey of 2-[4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol?
The InChIKey is ALLYNSCMTRSFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18-7-2-1-6-17(18)21-11-9-20(10-12-21)14-15-13-19-22-8-4-3-5-16(15)22/h1-8,13,23H,9-12,14H2.
What are the key properties of 2-[4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol?
2-[4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol has a molecular weight of 308.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol is sourced from PubChem (CID 24824065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).