1-[1-(3-phenyl-4H-chromen-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

C22H19N5O — CID 141441309

IUPAC1-[1-(3-phenyl-4H-chromen-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C1=C(c2ccccc2)Cc2ccccc2O1)n1ncc2c(N)ncnc21
InChIInChI=1S/C22H19N5O/c1-14(27-22-18(12-26-27)21(23)24-13-25-22)20-17(15-7-3-2-4-8-15)11-16-9-5-6-10-19(16)28-20/h2-10,12-14H,11H2,1H3,(H2,23,24,25)
InChIKeyGJLPGPXGOLOOFG-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.02
Rot. Bonds3

About 1-[1-(3-phenyl-4H-chromen-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-[1-(3-phenyl-4H-chromen-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 141441309) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-[1-(3-phenyl-4H-chromen-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[1-(3-phenyl-4H-chromen-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID141441309
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name1-[1-(3-phenyl-4H-chromen-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C1=C(c2ccccc2)Cc2ccccc2O1)n1ncc2c(N)ncnc21
InChIInChI=1S/C22H19N5O/c1-14(27-22-18(12-26-27)21(23)24-13-25-22)20-17(15-7-3-2-4-8-15)11-16-9-5-6-10-19(16)28-20/h2-10,12-14H,11H2,1H3,(H2,23,24,25)
InChIKeyGJLPGPXGOLOOFG-UHFFFAOYSA-N
XLogP4.02
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-phenyl-4H-chromen-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[1-(3-phenyl-4H-chromen-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 141441309) is 1-[1-(3-phenyl-4H-chromen-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[1-(3-phenyl-4H-chromen-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[1-(3-phenyl-4H-chromen-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is CC(C1=C(c2ccccc2)Cc2ccccc2O1)n1ncc2c(N)ncnc21.
What is the InChIKey of 1-[1-(3-phenyl-4H-chromen-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GJLPGPXGOLOOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-14(27-22-18(12-26-27)21(23)24-13-25-22)20-17(15-7-3-2-4-8-15)11-16-9-5-6-10-19(16)28-20/h2-10,12-14H,11H2,1H3,(H2,23,24,25).
What are the key properties of 1-[1-(3-phenyl-4H-chromen-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-[1-(3-phenyl-4H-chromen-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 369.43 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-phenyl-4H-chromen-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 141441309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).