1-(2-hydroxyethyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one

C14H22N5O2+ — CID 7599726

IUPAC1-(2-hydroxyethyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(CCO)c2ncn1CC[NH+]1CCCCC1
InChIInChI=1S/C14H21N5O2/c20-9-8-19-13-12(10-16-19)14(21)18(11-15-13)7-6-17-4-2-1-3-5-17/h10-11,20H,1-9H2/p+1
InChIKeySALAQVXSRRUZDC-UHFFFAOYSA-O
MW292.36 g/mol
LogP-1.35
Rot. Bonds5

About 1-(2-hydroxyethyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one

1-(2-hydroxyethyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7599726) has the molecular formula C14H22N5O2+ and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7599726
Molecular FormulaC14H22N5O2+
Molecular Weight292.36 g/mol
Exact Mass292.18
IUPAC Name1-(2-hydroxyethyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(CCO)c2ncn1CC[NH+]1CCCCC1
InChIInChI=1S/C14H21N5O2/c20-9-8-19-13-12(10-16-19)14(21)18(11-15-13)7-6-17-4-2-1-3-5-17/h10-11,20H,1-9H2/p+1
InChIKeySALAQVXSRRUZDC-UHFFFAOYSA-O
XLogP-1.35
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7422939
5-cyclopentyl-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7599760
N-(2-fluorophenyl)-2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7422916
methyl 3-[1-(3-methoxy-3-oxopropyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoate
CID 102282878
N-[(2-chlorophenyl)methyl]-2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7422934
1-(2-aminoethyl)-5-propylpyrazolo[5,4-d]pyrimidin-4-one
CID 97036259
7-methyl-3-(2-piperidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one
CID 2048218
N-(3,4-dimethoxyphenyl)-2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7422886
ethyl 4-[[2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]benzoate
CID 7422890
N-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclohexanecarboxamide
CID 41232209
1-(2-aminoethyl)-5-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 97036262
N-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 41231661

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-hydroxyethyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 7599726) is 1-(2-hydroxyethyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-hydroxyethyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(CCO)c2ncn1CC[NH+]1CCCCC1.
What is the InChIKey of 1-(2-hydroxyethyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SALAQVXSRRUZDC-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21N5O2/c20-9-8-19-13-12(10-16-19)14(21)18(11-15-13)7-6-17-4-2-1-3-5-17/h10-11,20H,1-9H2/p+1.
What are the key properties of 1-(2-hydroxyethyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-hydroxyethyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 292.36 g/mol, XLogP of -1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7599726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).