1-tert-butyl-6-(1,7-diazaspiro[4.4]nonan-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C16H24N6O — CID 136569246

IUPAC1-tert-butyl-6-(1,7-diazaspiro[4.4]nonan-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)[nH]c(N3CCCC34CCNC4)nc21
InChIInChI=1S/C16H24N6O/c1-15(2,3)22-12-11(9-18-22)13(23)20-14(19-12)21-8-4-5-16(21)6-7-17-10-16/h9,17H,4-8,10H2,1-3H3,(H,19,20,23)
InChIKeyWDZBHEYMUIXMQU-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.21
Rot. Bonds1

About 1-tert-butyl-6-(1,7-diazaspiro[4.4]nonan-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-(1,7-diazaspiro[4.4]nonan-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136569246) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-tert-butyl-6-(1,7-diazaspiro[4.4]nonan-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-(1,7-diazaspiro[4.4]nonan-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136569246
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name1-tert-butyl-6-(1,7-diazaspiro[4.4]nonan-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)[nH]c(N3CCCC34CCNC4)nc21
InChIInChI=1S/C16H24N6O/c1-15(2,3)22-12-11(9-18-22)13(23)20-14(19-12)21-8-4-5-16(21)6-7-17-10-16/h9,17H,4-8,10H2,1-3H3,(H,19,20,23)
InChIKeyWDZBHEYMUIXMQU-UHFFFAOYSA-N
XLogP1.21
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-(1,7-diazaspiro[4.4]nonan-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-(1,7-diazaspiro[4.4]nonan-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136569246) is 1-tert-butyl-6-(1,7-diazaspiro[4.4]nonan-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-(1,7-diazaspiro[4.4]nonan-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-(1,7-diazaspiro[4.4]nonan-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)n1ncc2c(=O)[nH]c(N3CCCC34CCNC4)nc21.
What is the InChIKey of 1-tert-butyl-6-(1,7-diazaspiro[4.4]nonan-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is WDZBHEYMUIXMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-15(2,3)22-12-11(9-18-22)13(23)20-14(19-12)21-8-4-5-16(21)6-7-17-10-16/h9,17H,4-8,10H2,1-3H3,(H,19,20,23).
What are the key properties of 1-tert-butyl-6-(1,7-diazaspiro[4.4]nonan-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-(1,7-diazaspiro[4.4]nonan-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 316.41 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-(1,7-diazaspiro[4.4]nonan-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136569246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).