3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C22H25N5O — CID 53344913

IUPAC3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)COc1ccc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2c1
InChIInChI=1S/C22H25N5O/c1-13(2)11-28-18-8-7-15-9-17(6-5-16(15)10-18)20-19-21(23)24-12-25-22(19)27(26-20)14(3)4/h5-10,12-14H,11H2,1-4H3,(H2,23,24,25)
InChIKeyFOJGRLUYLZGTIX-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.84
Rot. Bonds5

About 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 53344913) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID53344913
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)COc1ccc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2c1
InChIInChI=1S/C22H25N5O/c1-13(2)11-28-18-8-7-15-9-17(6-5-16(15)10-18)20-19-21(23)24-12-25-22(19)27(26-20)14(3)4/h5-10,12-14H,11H2,1-4H3,(H2,23,24,25)
InChIKeyFOJGRLUYLZGTIX-UHFFFAOYSA-N
XLogP4.84
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 53344913) is 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)COc1ccc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2c1.
What is the InChIKey of 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FOJGRLUYLZGTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-13(2)11-28-18-8-7-15-9-17(6-5-16(15)10-18)20-19-21(23)24-12-25-22(19)27(26-20)14(3)4/h5-10,12-14H,11H2,1-4H3,(H2,23,24,25).
What are the key properties of 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 53344913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).