6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one

C19H17N5O2 — CID 24905230

IUPAC6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one
SMILESNc1ncnc2c1c(-c1ccc3occc(=O)c3c1)nn2C1CCCC1
InChIInChI=1S/C19H17N5O2/c20-18-16-17(11-5-6-15-13(9-11)14(25)7-8-26-15)23-24(12-3-1-2-4-12)19(16)22-10-21-18/h5-10,12H,1-4H2,(H2,20,21,22)
InChIKeyHFBMCRRHMRLGSA-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.30
Rot. Bonds2

About 6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one

6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one (PubChem CID 24905230) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one.

Molecular Properties

Compound Name6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one
PubChem CID24905230
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one
SMILESNc1ncnc2c1c(-c1ccc3occc(=O)c3c1)nn2C1CCCC1
InChIInChI=1S/C19H17N5O2/c20-18-16-17(11-5-6-15-13(9-11)14(25)7-8-26-15)23-24(12-3-1-2-4-12)19(16)22-10-21-18/h5-10,12H,1-4H2,(H2,20,21,22)
InChIKeyHFBMCRRHMRLGSA-UHFFFAOYSA-N
XLogP3.30
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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CID 54582501
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CID 70697131
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CID 72950887
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CID 146635384
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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one?
The IUPAC name of 6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one (CID 24905230) is 6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one.
What is the SMILES notation for 6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one?
The canonical SMILES for 6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one is Nc1ncnc2c1c(-c1ccc3occc(=O)c3c1)nn2C1CCCC1.
What is the InChIKey of 6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one?
The InChIKey is HFBMCRRHMRLGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c20-18-16-17(11-5-6-15-13(9-11)14(25)7-8-26-15)23-24(12-3-1-2-4-12)19(16)22-10-21-18/h5-10,12H,1-4H2,(H2,20,21,22).
What are the key properties of 6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one?
6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one has a molecular weight of 347.38 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one is sourced from PubChem (CID 24905230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).