(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide

C16H24N6O2 — CID 155548362

IUPAC(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)[C@@H](C)Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C16H24N6O2/c1-4-21(3)15(24)10(2)18-16-19-13-12(14(23)20-16)9-17-22(13)11-7-5-6-8-11/h9-11H,4-8H2,1-3H3,(H2,18,19,20,23)/t10-/m1/s1
InChIKeyJNQGAYSHKJDZCY-SNVBAGLBSA-N
MW332.41 g/mol
LogP1.51
Rot. Bonds5

About (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide

(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 155548362) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide
PubChem CID155548362
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)[C@@H](C)Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C16H24N6O2/c1-4-21(3)15(24)10(2)18-16-19-13-12(14(23)20-16)9-17-22(13)11-7-5-6-8-11/h9-11H,4-8H2,1-3H3,(H2,18,19,20,23)/t10-/m1/s1
InChIKeyJNQGAYSHKJDZCY-SNVBAGLBSA-N
XLogP1.51
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide with MolForge

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Related Compounds

Pde9-IN-1
CID 137700754
1-cyclopentyl-6-[[(2R)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 163183770
1-Tert-butyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinone
CID 7118692
1-Tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[3,4-d]pyrimidin-4-one
CID 7118693
2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-cyclohexylacetamide
CID 3245013
6-[(1R)-1-(azetidin-1-yl)ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136236306
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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide (CID 155548362) is (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)[C@@H](C)Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1.
What is the InChIKey of (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is JNQGAYSHKJDZCY-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-4-21(3)15(24)10(2)18-16-19-13-12(14(23)20-16)9-17-22(13)11-7-5-6-8-11/h9-11H,4-8H2,1-3H3,(H2,18,19,20,23)/t10-/m1/s1.
What are the key properties of (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide?
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 332.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 155548362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).