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

C19H28N6O3 — CID 166630101

IUPAC1-cyclopentyl-6-[[(2R)-1-(2,2-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C19H28N6O3/c1-12(17(27)24-8-9-28-19(2,3)11-24)21-18-22-15-14(16(26)23-18)10-20-25(15)13-6-4-5-7-13/h10,12-13H,4-9,11H2,1-3H3,(H2,21,22,23,26)/t12-/m1/s1
InChIKeyVUICFNAKRQVWFN-GFCCVEGCSA-N
MW388.47 g/mol
LogP1.67
Rot. Bonds4

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

1-cyclopentyl-6-[[(2R)-1-(2,2-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 166630101) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-cyclopentyl-6-[[(2R)-1-(2,2-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[[(2R)-1-(2,2-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID166630101
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name1-cyclopentyl-6-[[(2R)-1-(2,2-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C19H28N6O3/c1-12(17(27)24-8-9-28-19(2,3)11-24)21-18-22-15-14(16(26)23-18)10-20-25(15)13-6-4-5-7-13/h10,12-13H,4-9,11H2,1-3H3,(H2,21,22,23,26)/t12-/m1/s1
InChIKeyVUICFNAKRQVWFN-GFCCVEGCSA-N
XLogP1.67
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pde9-IN-1
CID 137700754
2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-cyclohexylacetamide
CID 3245013
1-cyclopentyl-6-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155510637
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
1-cyclopentyl-6-[[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155517492
1-cyclopentyl-6-[[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155521088
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N,N-dimethylpropanamide
CID 155523485
1-cyclopentyl-6-[[(2R)-1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155525884
1-cyclopentyl-6-[[(2R)-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155531325
1-cyclopentyl-6-[[(2R)-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155539455
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide
CID 155548362

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[[(2R)-1-(2,2-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 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) is 1-cyclopentyl-6-[[(2R)-1-(2,2-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-[[(2R)-1-(2,2-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[[(2R)-1-(2,2-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCOC(C)(C)C1.
What is the InChIKey of 1-cyclopentyl-6-[[(2R)-1-(2,2-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is VUICFNAKRQVWFN-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-12(17(27)24-8-9-28-19(2,3)11-24)21-18-22-15-14(16(26)23-18)10-20-25(15)13-6-4-5-7-13/h10,12-13H,4-9,11H2,1-3H3,(H2,21,22,23,26)/t12-/m1/s1.
What are the key properties of 1-cyclopentyl-6-[[(2R)-1-(2,2-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[[(2R)-1-(2,2-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 388.47 g/mol, XLogP of 1.67, 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-(2,2-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166630101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).