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

C19H23N5O — CID 74767127

IUPAC4-(4-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESCOc1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)cc1
InChIInChI=1S/C19H23N5O/c1-25-16-7-5-15(6-8-16)18-17-13-22-24(19(17)21-14-20-18)12-11-23-9-3-2-4-10-23/h5-8,13-14H,2-4,9-12H2,1H3
InChIKeyIRDYWYQPAOGYOJ-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.99
Rot. Bonds5

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

4-(4-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 74767127) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
PubChem CID74767127
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-(4-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESCOc1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)cc1
InChIInChI=1S/C19H23N5O/c1-25-16-7-5-15(6-8-16)18-17-13-22-24(19(17)21-14-20-18)12-11-23-9-3-2-4-10-23/h5-8,13-14H,2-4,9-12H2,1H3
InChIKeyIRDYWYQPAOGYOJ-UHFFFAOYSA-N
XLogP2.99
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-(4-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (CID 74767127) is 4-(4-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is COc1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is IRDYWYQPAOGYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-25-16-7-5-15(6-8-16)18-17-13-22-24(19(17)21-14-20-18)12-11-23-9-3-2-4-10-23/h5-8,13-14H,2-4,9-12H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
4-(4-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 337.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 74767127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).