2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid

C13H16N4O3 — CID 115372075

IUPAC2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid
SMILESO=C(O)COC1CCN(c2ccn3nccc3n2)CC1
InChIInChI=1S/C13H16N4O3/c18-13(19)9-20-10-2-6-16(7-3-10)11-4-8-17-12(15-11)1-5-14-17/h1,4-5,8,10H,2-3,6-7,9H2,(H,18,19)
InChIKeyAMCUXBXJOSEJFF-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.80
Rot. Bonds4

About 2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid

2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid (PubChem CID 115372075) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid
PubChem CID115372075
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid
SMILESO=C(O)COC1CCN(c2ccn3nccc3n2)CC1
InChIInChI=1S/C13H16N4O3/c18-13(19)9-20-10-2-6-16(7-3-10)11-4-8-17-12(15-11)1-5-14-17/h1,4-5,8,10H,2-3,6-7,9H2,(H,18,19)
InChIKeyAMCUXBXJOSEJFF-UHFFFAOYSA-N
XLogP0.80
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylate
CID 115372977
2-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 55250913
N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 163356400
N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 115373022
1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone
CID 163343809
5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 171700855
1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one
CID 115372220
2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid
CID 114335425
4-propyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylic acid
CID 115372064
5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 151310719
1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 171996296
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 63903910

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid (CID 115372075) is 2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid is O=C(O)COC1CCN(c2ccn3nccc3n2)CC1.
What is the InChIKey of 2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid?
The InChIKey is AMCUXBXJOSEJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c18-13(19)9-20-10-2-6-16(7-3-10)11-4-8-17-12(15-11)1-5-14-17/h1,4-5,8,10H,2-3,6-7,9H2,(H,18,19).
What are the key properties of 2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid?
2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid has a molecular weight of 276.30 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid is sourced from PubChem (CID 115372075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).