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

C18H22N6 — CID 74766967

IUPAC4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESCc1ncccc1-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C18H22N6/c1-14-15(6-5-7-19-14)17-16-12-22-24(18(16)21-13-20-17)11-10-23-8-3-2-4-9-23/h5-7,12-13H,2-4,8-11H2,1H3
InChIKeyXPEPZVXYLPKBMB-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.68
Rot. Bonds4

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

4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 74766967) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
PubChem CID74766967
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESCc1ncccc1-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C18H22N6/c1-14-15(6-5-7-19-14)17-16-12-22-24(18(16)21-13-20-17)11-10-23-8-3-2-4-9-23/h5-7,12-13H,2-4,8-11H2,1H3
InChIKeyXPEPZVXYLPKBMB-UHFFFAOYSA-N
XLogP2.68
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (CID 74766967) is 4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is Cc1ncccc1-c1ncnc2c1cnn2CCN1CCCCC1.
What is the InChIKey of 4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is XPEPZVXYLPKBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-14-15(6-5-7-19-14)17-16-12-22-24(18(16)21-13-20-17)11-10-23-8-3-2-4-9-23/h5-7,12-13H,2-4,8-11H2,1H3.
What are the key properties of 4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 322.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 74766967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).