1-propan-2-yl-6-(pyridin-3-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C14H16N6O — CID 136969899

IUPAC1-propan-2-yl-6-(pyridin-3-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)n1ncc2c(=O)[nH]c(NCc3cccnc3)nc21
InChIInChI=1S/C14H16N6O/c1-9(2)20-12-11(8-17-20)13(21)19-14(18-12)16-7-10-4-3-5-15-6-10/h3-6,8-9H,7H2,1-2H3,(H2,16,18,19,21)
InChIKeyJBOOTHVZVAISBV-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.71
Rot. Bonds4

About 1-propan-2-yl-6-(pyridin-3-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-propan-2-yl-6-(pyridin-3-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136969899) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-propan-2-yl-6-(pyridin-3-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-propan-2-yl-6-(pyridin-3-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136969899
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name1-propan-2-yl-6-(pyridin-3-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)n1ncc2c(=O)[nH]c(NCc3cccnc3)nc21
InChIInChI=1S/C14H16N6O/c1-9(2)20-12-11(8-17-20)13(21)19-14(18-12)16-7-10-4-3-5-15-6-10/h3-6,8-9H,7H2,1-2H3,(H2,16,18,19,21)
InChIKeyJBOOTHVZVAISBV-UHFFFAOYSA-N
XLogP1.71
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-6-(pyridin-3-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-propan-2-yl-6-(pyridin-3-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136969899) is 1-propan-2-yl-6-(pyridin-3-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-propan-2-yl-6-(pyridin-3-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-propan-2-yl-6-(pyridin-3-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)n1ncc2c(=O)[nH]c(NCc3cccnc3)nc21.
What is the InChIKey of 1-propan-2-yl-6-(pyridin-3-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JBOOTHVZVAISBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-9(2)20-12-11(8-17-20)13(21)19-14(18-12)16-7-10-4-3-5-15-6-10/h3-6,8-9H,7H2,1-2H3,(H2,16,18,19,21).
What are the key properties of 1-propan-2-yl-6-(pyridin-3-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-propan-2-yl-6-(pyridin-3-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 284.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-6-(pyridin-3-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136969899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).