5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C11H14N4O2 — CID 102735158

IUPAC5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n([C@H]3CCC[C@@H]3O)cnc21
InChIInChI=1S/C11H14N4O2/c1-14-10-7(5-13-14)11(17)15(6-12-10)8-3-2-4-9(8)16/h5-6,8-9,16H,2-4H2,1H3/t8-,9-/m0/s1
InChIKeyGJUWSNXWRDPMCR-IUCAKERBSA-N
MW234.26 g/mol
LogP0.22
Rot. Bonds1

About 5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 102735158) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID102735158
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n([C@H]3CCC[C@@H]3O)cnc21
InChIInChI=1S/C11H14N4O2/c1-14-10-7(5-13-14)11(17)15(6-12-10)8-3-2-4-9(8)16/h5-6,8-9,16H,2-4H2,1H3/t8-,9-/m0/s1
InChIKeyGJUWSNXWRDPMCR-IUCAKERBSA-N
XLogP0.22
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-[2-[2-(methylamino)cyclopentyl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 79572765
5-cyclopentyl-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7599760
1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 63276978
6-bromo-3-[(1S,2S)-2-hydroxycyclohexyl]-7,8-dimethylquinazolin-4-one
CID 130407320
5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63912676
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetohydrazide
CID 19616734
3-[(1S,2S)-2-hydroxycyclopentyl]-6-nitroquinazolin-4-one
CID 102735053
1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one
CID 163346905
N-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 46570096
1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 62567717
3-[(1R,2R)-2-hydroxycyclopentyl]-7-methoxy-6-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]quinazolin-4-one
CID 135309284
5-(4-bromobutyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63277468

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 102735158) is 5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)n([C@H]3CCC[C@@H]3O)cnc21.
What is the InChIKey of 5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GJUWSNXWRDPMCR-IUCAKERBSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-14-10-7(5-13-14)11(17)15(6-12-10)8-3-2-4-9(8)16/h5-6,8-9,16H,2-4H2,1H3/t8-,9-/m0/s1.
What are the key properties of 5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 234.26 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 102735158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).