1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]propan-1-one

C15H14N4O2 — CID 17450198

IUPAC1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ncnc3c2cnn3C)cc1
InChIInChI=1S/C15H14N4O2/c1-3-13(20)10-4-6-11(7-5-10)21-15-12-8-18-19(2)14(12)16-9-17-15/h4-9H,3H2,1-2H3
InChIKeyAJPFMWVQUMJVDD-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.75
Rot. Bonds4

About 1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]propan-1-one

1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]propan-1-one (PubChem CID 17450198) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]propan-1-one
PubChem CID17450198
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ncnc3c2cnn3C)cc1
InChIInChI=1S/C15H14N4O2/c1-3-13(20)10-4-6-11(7-5-10)21-15-12-8-18-19(2)14(12)16-9-17-15/h4-9H,3H2,1-2H3
InChIKeyAJPFMWVQUMJVDD-UHFFFAOYSA-N
XLogP2.75
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]propan-1-one?
The IUPAC name of 1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]propan-1-one (CID 17450198) is 1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]propan-1-one.
What is the SMILES notation for 1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]propan-1-one?
The canonical SMILES for 1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]propan-1-one is CCC(=O)c1ccc(Oc2ncnc3c2cnn3C)cc1.
What is the InChIKey of 1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]propan-1-one?
The InChIKey is AJPFMWVQUMJVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-3-13(20)10-4-6-11(7-5-10)21-15-12-8-18-19(2)14(12)16-9-17-15/h4-9H,3H2,1-2H3.
What are the key properties of 1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]propan-1-one?
1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]propan-1-one has a molecular weight of 282.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]propan-1-one is sourced from PubChem (CID 17450198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).