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

C17H15N5O2 — CID 24905229

IUPAC6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one
SMILESCC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(C=C3)OC=CC4=O)N
InChIInChI=1S/C17H15N5O2/c1-9(2)22-17-14(16(18)19-8-20-17)15(21-22)10-3-4-13-11(7-10)12(23)5-6-24-13/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyYRJGEWAWXXEJNX-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.80
Rot. Bonds2

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

6-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-4H-chromen-4-one (PubChem CID 24905229) has the molecular formula C17H15N5O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one.

Molecular Properties

Compound Name6-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-4H-chromen-4-one
PubChem CID24905229
Molecular FormulaC17H15N5O2
Molecular Weight321.33 g/mol
Exact Mass321.12
IUPAC Name6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one
SMILESCC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(C=C3)OC=CC4=O)N
InChIInChI=1S/C17H15N5O2/c1-9(2)22-17-14(16(18)19-8-20-17)15(21-22)10-3-4-13-11(7-10)12(23)5-6-24-13/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyYRJGEWAWXXEJNX-UHFFFAOYSA-N
XLogP1.80
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity525

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-4H-chromen-4-one with MolForge

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Related Compounds

Umbralisib
CID 72950888
3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
2-Methyl-7-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]chromen-4-one
CID 24882194
(1,3-Dimethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 4884002
5-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)furan-3-carbaldehyde
CID 24905158
1-isopropyl-3-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905168
3-(2,3-dihydrobenzofuran-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905194
3-(benzofuran-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905195
1-Isopropyl-3-(4-methoxy-3-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 49850406
3-(chroman-6-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 54582501
1-Tert-butyl-3-(4-methoxy-3-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 70697131
TGR-1202(Umbralisib)
CID 72950887

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-4H-chromen-4-one?
The IUPAC name of 6-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-4H-chromen-4-one (CID 24905229) is 6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one.
What is the SMILES notation for 6-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-4H-chromen-4-one?
The canonical SMILES for 6-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-4H-chromen-4-one is CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(C=C3)OC=CC4=O)N.
What is the InChIKey of 6-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-4H-chromen-4-one?
The InChIKey is YRJGEWAWXXEJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-9(2)22-17-14(16(18)19-8-20-17)15(21-22)10-3-4-13-11(7-10)12(23)5-6-24-13/h3-9H,1-2H3,(H2,18,19,20).
What are the key properties of 6-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-4H-chromen-4-one?
6-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-4H-chromen-4-one has a molecular weight of 321.33 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-4H-chromen-4-one is sourced from PubChem (CID 24905229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).