5-[(2S)-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H24N4O3 — CID 124958911

IUPAC5-[(2S)-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc([C@@H]2CCCCN2CC2(O)CCOCC2)nc2cc[nH]n12
InChIInChI=1S/C17H24N4O3/c22-16-11-13(19-15-4-7-18-21(15)16)14-3-1-2-8-20(14)12-17(23)5-9-24-10-6-17/h4,7,11,14,18,23H,1-3,5-6,8-10,12H2/t14-/m0/s1
InChIKeyGEUNOSBGIROYSO-AWEZNQCLSA-N
MW332.40 g/mol
LogP1.09
Rot. Bonds3

About 5-[(2S)-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(2S)-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 124958911) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-[(2S)-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2S)-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID124958911
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name5-[(2S)-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc([C@@H]2CCCCN2CC2(O)CCOCC2)nc2cc[nH]n12
InChIInChI=1S/C17H24N4O3/c22-16-11-13(19-15-4-7-18-21(15)16)14-3-1-2-8-20(14)12-17(23)5-9-24-10-6-17/h4,7,11,14,18,23H,1-3,5-6,8-10,12H2/t14-/m0/s1
InChIKeyGEUNOSBGIROYSO-AWEZNQCLSA-N
XLogP1.09
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2S)-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 124958911) is 5-[(2S)-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2S)-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2S)-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc([C@@H]2CCCCN2CC2(O)CCOCC2)nc2cc[nH]n12.
What is the InChIKey of 5-[(2S)-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GEUNOSBGIROYSO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-16-11-13(19-15-4-7-18-21(15)16)14-3-1-2-8-20(14)12-17(23)5-9-24-10-6-17/h4,7,11,14,18,23H,1-3,5-6,8-10,12H2/t14-/m0/s1.
What are the key properties of 5-[(2S)-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(2S)-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 332.40 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 124958911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).