1-cyclopentyl-6-[[(2R)-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C16H22N6O2S — CID 155532938

IUPAC1-cyclopentyl-6-[[(2R)-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCSC1
InChIInChI=1S/C16H22N6O2S/c1-10(15(24)21-6-7-25-9-21)18-16-19-13-12(14(23)20-16)8-17-22(13)11-4-2-3-5-11/h8,10-11H,2-7,9H2,1H3,(H2,18,19,20,23)/t10-/m1/s1
InChIKeyAEJMOSGROBUGEO-SNVBAGLBSA-N
MW362.46 g/mol
LogP1.57
Rot. Bonds4

About 1-cyclopentyl-6-[[(2R)-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclopentyl-6-[[(2R)-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 155532938) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-cyclopentyl-6-[[(2R)-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[[(2R)-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID155532938
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC Name1-cyclopentyl-6-[[(2R)-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCSC1
InChIInChI=1S/C16H22N6O2S/c1-10(15(24)21-6-7-25-9-21)18-16-19-13-12(14(23)20-16)8-17-22(13)11-4-2-3-5-11/h8,10-11H,2-7,9H2,1H3,(H2,18,19,20,23)/t10-/m1/s1
InChIKeyAEJMOSGROBUGEO-SNVBAGLBSA-N
XLogP1.57
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[[(2R)-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[[(2R)-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 155532938) is 1-cyclopentyl-6-[[(2R)-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-[[(2R)-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[[(2R)-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCSC1.
What is the InChIKey of 1-cyclopentyl-6-[[(2R)-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AEJMOSGROBUGEO-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-10(15(24)21-6-7-25-9-21)18-16-19-13-12(14(23)20-16)8-17-22(13)11-4-2-3-5-11/h8,10-11H,2-7,9H2,1H3,(H2,18,19,20,23)/t10-/m1/s1.
What are the key properties of 1-cyclopentyl-6-[[(2R)-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[[(2R)-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 362.46 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-[[(2R)-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 155532938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).