1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H26N6O — CID 137275173

IUPAC1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC=CCN1CCC(Nc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CC1
InChIInChI=1S/C17H26N6O/c1-5-8-22-9-6-12(7-10-22)19-16-20-14-13(15(24)21-16)11-18-23(14)17(2,3)4/h5,11-12H,1,6-10H2,2-4H3,(H2,19,20,21,24)
InChIKeyUDLVJTMFOHFVCM-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.94
Rot. Bonds4

About 1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137275173) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137275173
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC=CCN1CCC(Nc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CC1
InChIInChI=1S/C17H26N6O/c1-5-8-22-9-6-12(7-10-22)19-16-20-14-13(15(24)21-16)11-18-23(14)17(2,3)4/h5,11-12H,1,6-10H2,2-4H3,(H2,19,20,21,24)
InChIKeyUDLVJTMFOHFVCM-UHFFFAOYSA-N
XLogP1.94
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

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-[(4-methylcycloheptyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137267771
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-(3-methylbutanoyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137271095
1-tert-butyl-6-[4-(4-methylpiperidin-1-yl)butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261164
1-tert-butyl-6-[[(1S)-cyclohex-2-en-1-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136706869
6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135993684
1-tert-butyl-6-(3-cyclohexylpropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261091
1-tert-butyl-6-[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137268829
6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275125
1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264504

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137275173) is 1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C=CCN1CCC(Nc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CC1.
What is the InChIKey of 1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UDLVJTMFOHFVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-5-8-22-9-6-12(7-10-22)19-16-20-14-13(15(24)21-16)11-18-23(14)17(2,3)4/h5,11-12H,1,6-10H2,2-4H3,(H2,19,20,21,24).
What are the key properties of 1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 330.44 g/mol, XLogP of 1.94, 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-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137275173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).