1-tert-butyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one

C16H23N5O2 — CID 7118692

IUPAC1-tert-butyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)n(CC(=O)N3CCCCC3)cnc21
InChIInChI=1S/C16H23N5O2/c1-16(2,3)21-14-12(9-18-21)15(23)20(11-17-14)10-13(22)19-7-5-4-6-8-19/h9,11H,4-8,10H2,1-3H3
InChIKeyCTVCVOSDXGRRAC-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.36
Rot. Bonds2

About 1-tert-butyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7118692) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-tert-butyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7118692
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-tert-butyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)n(CC(=O)N3CCCCC3)cnc21
InChIInChI=1S/C16H23N5O2/c1-16(2,3)21-14-12(9-18-21)15(23)20(11-17-14)10-13(22)19-7-5-4-6-8-19/h9,11H,4-8,10H2,1-3H3
InChIKeyCTVCVOSDXGRRAC-UHFFFAOYSA-N
XLogP1.36
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-cyclopentyl-6-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155510637
(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
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
6-[[(2R)-1-(4-chloropiperidin-1-yl)-1-oxopropan-2-yl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166625891
1-cyclopentyl-6-[[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166625951

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 7118692) is 1-tert-butyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)n1ncc2c(=O)n(CC(=O)N3CCCCC3)cnc21.
What is the InChIKey of 1-tert-butyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is CTVCVOSDXGRRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-16(2,3)21-14-12(9-18-21)15(23)20(11-17-14)10-13(22)19-7-5-4-6-8-19/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 1-tert-butyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 317.39 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7118692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).