3-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C15H16FN5O — CID 24905175

IUPAC3-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(-c2nn(C(C)C)c3ncnc(N)c23)ccc1F
InChIInChI=1S/C15H16FN5O/c1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)9-4-5-10(16)11(6-9)22-3/h4-8H,1-3H3,(H2,17,18,19)
InChIKeyMNJNKKYCZKBVRY-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.80
Rot. Bonds3

About 3-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905175) has the molecular formula C15H16FN5O and a molecular weight of 301.33 g/mol. Its IUPAC name is 3-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905175
Molecular FormulaC15H16FN5O
Molecular Weight301.33 g/mol
Exact Mass301.13
IUPAC Name3-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(-c2nn(C(C)C)c3ncnc(N)c23)ccc1F
InChIInChI=1S/C15H16FN5O/c1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)9-4-5-10(16)11(6-9)22-3/h4-8H,1-3H3,(H2,17,18,19)
InChIKeyMNJNKKYCZKBVRY-UHFFFAOYSA-N
XLogP2.80
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905175) is 3-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is COc1cc(-c2nn(C(C)C)c3ncnc(N)c23)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MNJNKKYCZKBVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)9-4-5-10(16)11(6-9)22-3/h4-8H,1-3H3,(H2,17,18,19).
What are the key properties of 3-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 301.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).