6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H24N6O4 — CID 166629006

IUPAC6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H](Nc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)C(=O)N1CCOCC1
InChIInChI=1S/C17H24N6O4/c1-11(16(25)22-4-8-27-9-5-22)19-17-20-14-13(15(24)21-17)10-18-23(14)12-2-6-26-7-3-12/h10-12H,2-9H2,1H3,(H2,19,20,21,24)/t11-/m1/s1
InChIKeyXZUHZKIIMGBOKC-LLVKDONJSA-N
MW376.42 g/mol
LogP0.13
Rot. Bonds4

About 6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 166629006) has the molecular formula C17H24N6O4 and a molecular weight of 376.42 g/mol. Its IUPAC name is 6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID166629006
Molecular FormulaC17H24N6O4
Molecular Weight376.42 g/mol
Exact Mass376.19
IUPAC Name6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H](Nc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)C(=O)N1CCOCC1
InChIInChI=1S/C17H24N6O4/c1-11(16(25)22-4-8-27-9-5-22)19-17-20-14-13(15(24)21-17)10-18-23(14)12-2-6-26-7-3-12/h10-12H,2-9H2,1H3,(H2,19,20,21,24)/t11-/m1/s1
InChIKeyXZUHZKIIMGBOKC-LLVKDONJSA-N
XLogP0.13
TPSA114.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopentyl-6-[[(2R)-1-(3-methoxypyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155511060
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(oxolan-3-yl)propanamide
CID 155512206
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide
CID 155548362
1-cyclopentyl-6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155553114
1-cyclopentyl-6-[[(2R)-1-(4-fluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166629127
6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166629189
1-cyclopentyl-6-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166629262
1-cyclopentyl-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166629714
1-cyclopentyl-6-[[(2R)-1-(2,2-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166630101
1-cyclopentyl-6-[[(2R)-1-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166630559
1-cyclopentyl-6-[[(2R)-1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166630874
1-cyclopentyl-6-[[(2R)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166635128

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 166629006) is 6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@@H](Nc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)C(=O)N1CCOCC1.
What is the InChIKey of 6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XZUHZKIIMGBOKC-LLVKDONJSA-N. The full InChI is InChI=1S/C17H24N6O4/c1-11(16(25)22-4-8-27-9-5-22)19-17-20-14-13(15(24)21-17)10-18-23(14)12-2-6-26-7-3-12/h10-12H,2-9H2,1H3,(H2,19,20,21,24)/t11-/m1/s1.
What are the key properties of 6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 376.42 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166629006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).