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

C21H27N5 — CID 144627248

IUPAC1-(2-piperidin-1-ylethyl)-4-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine
SMILESCCCc1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)cc1
InChIInChI=1S/C21H27N5/c1-2-6-17-7-9-18(10-8-17)20-19-15-24-26(21(19)23-16-22-20)14-13-25-11-4-3-5-12-25/h7-10,15-16H,2-6,11-14H2,1H3
InChIKeyIIXBHKOGBAELBT-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.93
Rot. Bonds6

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

1-(2-piperidin-1-ylethyl)-4-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 144627248) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-4-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-4-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine
PubChem CID144627248
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name1-(2-piperidin-1-ylethyl)-4-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine
SMILESCCCc1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)cc1
InChIInChI=1S/C21H27N5/c1-2-6-17-7-9-18(10-8-17)20-19-15-24-26(21(19)23-16-22-20)14-13-25-11-4-3-5-12-25/h7-10,15-16H,2-6,11-14H2,1H3
InChIKeyIIXBHKOGBAELBT-UHFFFAOYSA-N
XLogP3.93
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-4-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-4-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine (CID 144627248) is 1-(2-piperidin-1-ylethyl)-4-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-4-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-4-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine is CCCc1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)cc1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-4-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is IIXBHKOGBAELBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-2-6-17-7-9-18(10-8-17)20-19-15-24-26(21(19)23-16-22-20)14-13-25-11-4-3-5-12-25/h7-10,15-16H,2-6,11-14H2,1H3.
What are the key properties of 1-(2-piperidin-1-ylethyl)-4-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine?
1-(2-piperidin-1-ylethyl)-4-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 349.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-4-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 144627248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).