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

C17H24N6O2S — CID 166625951

IUPAC1-cyclopentyl-6-[[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCSCC1
InChIInChI=1S/C17H24N6O2S/c1-11(16(25)22-6-8-26-9-7-22)19-17-20-14-13(15(24)21-17)10-18-23(14)12-4-2-3-5-12/h10-12H,2-9H2,1H3,(H2,19,20,21,24)/t11-/m1/s1
InChIKeyOYZLPHGMHRLNSZ-LLVKDONJSA-N
MW376.49 g/mol
LogP1.61
Rot. Bonds4

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

1-cyclopentyl-6-[[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 166625951) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is 1-cyclopentyl-6-[[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID166625951
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name1-cyclopentyl-6-[[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCSCC1
InChIInChI=1S/C17H24N6O2S/c1-11(16(25)22-6-8-26-9-7-22)19-17-20-14-13(15(24)21-17)10-18-23(14)12-4-2-3-5-12/h10-12H,2-9H2,1H3,(H2,19,20,21,24)/t11-/m1/s1
InChIKeyOYZLPHGMHRLNSZ-LLVKDONJSA-N
XLogP1.61
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.61
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-thiomorpholin-4-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 166625951) is 1-cyclopentyl-6-[[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-[[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCSCC1.
What is the InChIKey of 1-cyclopentyl-6-[[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OYZLPHGMHRLNSZ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-11(16(25)22-6-8-26-9-7-22)19-17-20-14-13(15(24)21-17)10-18-23(14)12-4-2-3-5-12/h10-12H,2-9H2,1H3,(H2,19,20,21,24)/t11-/m1/s1.
What are the key properties of 1-cyclopentyl-6-[[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 376.49 g/mol, XLogP of 1.61, 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-thiomorpholin-4-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166625951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).