4-(4-fluoro-2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine

C19H22FN5O — CID 74767286

IUPAC4-(4-fluoro-2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESCOc1cc(F)ccc1-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C19H22FN5O/c1-26-17-11-14(20)5-6-15(17)18-16-12-23-25(19(16)22-13-21-18)10-9-24-7-3-2-4-8-24/h5-6,11-13H,2-4,7-10H2,1H3
InChIKeyAKKHAWGBHNXUOY-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.13
Rot. Bonds5

About 4-(4-fluoro-2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine

4-(4-fluoro-2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 74767286) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-(4-fluoro-2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-fluoro-2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
PubChem CID74767286
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name4-(4-fluoro-2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESCOc1cc(F)ccc1-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C19H22FN5O/c1-26-17-11-14(20)5-6-15(17)18-16-12-23-25(19(16)22-13-21-18)10-9-24-7-3-2-4-8-24/h5-6,11-13H,2-4,7-10H2,1H3
InChIKeyAKKHAWGBHNXUOY-UHFFFAOYSA-N
XLogP3.13
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-(4-fluoro-2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (CID 74767286) is 4-(4-fluoro-2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(4-fluoro-2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(4-fluoro-2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is COc1cc(F)ccc1-c1ncnc2c1cnn2CCN1CCCCC1.
What is the InChIKey of 4-(4-fluoro-2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is AKKHAWGBHNXUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-26-17-11-14(20)5-6-15(17)18-16-12-23-25(19(16)22-13-21-18)10-9-24-7-3-2-4-8-24/h5-6,11-13H,2-4,7-10H2,1H3.
What are the key properties of 4-(4-fluoro-2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
4-(4-fluoro-2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 355.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 74767286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).