4-(2,5-dimethylpyrrol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine

C18H24N6 — CID 71225558

IUPAC4-(2,5-dimethylpyrrol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(C)n1-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C18H24N6/c1-14-6-7-15(2)24(14)18-16-12-21-23(17(16)19-13-20-18)11-10-22-8-4-3-5-9-22/h6-7,12-13H,3-5,8-11H2,1-2H3
InChIKeyGMZKXCQBWRTBDO-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.72
Rot. Bonds4

About 4-(2,5-dimethylpyrrol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine

4-(2,5-dimethylpyrrol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 71225558) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
PubChem CID71225558
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(C)n1-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C18H24N6/c1-14-6-7-15(2)24(14)18-16-12-21-23(17(16)19-13-20-18)11-10-22-8-4-3-5-9-22/h6-7,12-13H,3-5,8-11H2,1-2H3
InChIKeyGMZKXCQBWRTBDO-UHFFFAOYSA-N
XLogP2.72
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine (CID 71225558) is 4-(2,5-dimethylpyrrol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine is Cc1ccc(C)n1-c1ncnc2c1cnn2CCN1CCCCC1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is GMZKXCQBWRTBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-14-6-7-15(2)24(14)18-16-12-21-23(17(16)19-13-20-18)11-10-22-8-4-3-5-9-22/h6-7,12-13H,3-5,8-11H2,1-2H3.
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
4-(2,5-dimethylpyrrol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 324.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 71225558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).