1-tert-butyl-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H30N6O2 — CID 137271095

IUPAC1-tert-butyl-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)CC(=O)N1CCC(Nc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CC1
InChIInChI=1S/C19H30N6O2/c1-12(2)10-15(26)24-8-6-13(7-9-24)21-18-22-16-14(17(27)23-18)11-20-25(16)19(3,4)5/h11-13H,6-10H2,1-5H3,(H2,21,22,23,27)
InChIKeyZRCIKXYYTWYPJF-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.32
Rot. Bonds4

About 1-tert-butyl-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137271095) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-tert-butyl-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137271095
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name1-tert-butyl-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)CC(=O)N1CCC(Nc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CC1
InChIInChI=1S/C19H30N6O2/c1-12(2)10-15(26)24-8-6-13(7-9-24)21-18-22-16-14(17(27)23-18)11-20-25(16)19(3,4)5/h11-13H,6-10H2,1-5H3,(H2,21,22,23,27)
InChIKeyZRCIKXYYTWYPJF-UHFFFAOYSA-N
XLogP2.32
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

1-tert-butyl-6-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261105
1-tert-butyl-6-[(1-propan-2-ylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260834
4-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexane-1-carboxylic acid
CID 137061318
1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275173
N-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide
CID 137260856
2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide
CID 137262172
1-tert-butyl-6-[[(1S)-cyclohex-2-en-1-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136706869
1-tert-butyl-6-(6-methylheptan-2-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137262946
1-tert-butyl-6-[4-(4-methylpiperidin-1-yl)butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261164
1-tert-butyl-6-[[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137263223
propan-2-yl 4-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]piperidine-1-carboxylate
CID 137263059
(2S)-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N,3-dimethylbutanamide
CID 138044160

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137271095) is 1-tert-butyl-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)CC(=O)N1CCC(Nc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CC1.
What is the InChIKey of 1-tert-butyl-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZRCIKXYYTWYPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-12(2)10-15(26)24-8-6-13(7-9-24)21-18-22-16-14(17(27)23-18)11-20-25(16)19(3,4)5/h11-13H,6-10H2,1-5H3,(H2,21,22,23,27).
What are the key properties of 1-tert-butyl-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 374.49 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137271095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).