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

C19H28N6O3 — CID 166635565

IUPAC1-cyclopentyl-6-[[(2R)-5-morpholin-4-yl-3-oxopentan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)CCN1CCOCC1
InChIInChI=1S/C19H28N6O3/c1-13(16(26)6-7-24-8-10-28-11-9-24)21-19-22-17-15(18(27)23-19)12-20-25(17)14-4-2-3-5-14/h12-14H,2-11H2,1H3,(H2,21,22,23,27)/t13-/m1/s1
InChIKeyBDYWCSQJTUBGNV-CYBMUJFWSA-N
MW388.47 g/mol
LogP1.33
Rot. Bonds7

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

1-cyclopentyl-6-[[(2R)-5-morpholin-4-yl-3-oxopentan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 166635565) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-cyclopentyl-6-[[(2R)-5-morpholin-4-yl-3-oxopentan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[[(2R)-5-morpholin-4-yl-3-oxopentan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID166635565
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name1-cyclopentyl-6-[[(2R)-5-morpholin-4-yl-3-oxopentan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)CCN1CCOCC1
InChIInChI=1S/C19H28N6O3/c1-13(16(26)6-7-24-8-10-28-11-9-24)21-19-22-17-15(18(27)23-19)12-20-25(17)14-4-2-3-5-14/h12-14H,2-11H2,1H3,(H2,21,22,23,27)/t13-/m1/s1
InChIKeyBDYWCSQJTUBGNV-CYBMUJFWSA-N
XLogP1.33
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-cyclopentyl-6-[[(2R)-5-morpholin-4-yl-3-oxopentan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

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CID 137700754
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
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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
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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
1-cyclopentyl-6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155553114
(2R)-N-cyclopentyl-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide
CID 155559756

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[[(2R)-5-morpholin-4-yl-3-oxopentan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[[(2R)-5-morpholin-4-yl-3-oxopentan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 166635565) is 1-cyclopentyl-6-[[(2R)-5-morpholin-4-yl-3-oxopentan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-[[(2R)-5-morpholin-4-yl-3-oxopentan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[[(2R)-5-morpholin-4-yl-3-oxopentan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)CCN1CCOCC1.
What is the InChIKey of 1-cyclopentyl-6-[[(2R)-5-morpholin-4-yl-3-oxopentan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BDYWCSQJTUBGNV-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-13(16(26)6-7-24-8-10-28-11-9-24)21-19-22-17-15(18(27)23-19)12-20-25(17)14-4-2-3-5-14/h12-14H,2-11H2,1H3,(H2,21,22,23,27)/t13-/m1/s1.
What are the key properties of 1-cyclopentyl-6-[[(2R)-5-morpholin-4-yl-3-oxopentan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[[(2R)-5-morpholin-4-yl-3-oxopentan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 388.47 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-[[(2R)-5-morpholin-4-yl-3-oxopentan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166635565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).