1-ethyl-3-methyl-7-(4-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine

C17H27N5 — CID 71687649

IUPAC1-ethyl-3-methyl-7-(4-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine
SMILESCCCc1nc(N2CCC(C)CC2)c2c(n1)c(C)nn2CC
InChIInChI=1S/C17H27N5/c1-5-7-14-18-15-13(4)20-22(6-2)16(15)17(19-14)21-10-8-12(3)9-11-21/h12H,5-11H2,1-4H3
InChIKeyWHWJJYYATGAKGT-UHFFFAOYSA-N
MW301.44 g/mol
LogP3.34
Rot. Bonds4

About 1-ethyl-3-methyl-7-(4-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine

1-ethyl-3-methyl-7-(4-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine (PubChem CID 71687649) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 1-ethyl-3-methyl-7-(4-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name1-ethyl-3-methyl-7-(4-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine
PubChem CID71687649
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name1-ethyl-3-methyl-7-(4-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine
SMILESCCCc1nc(N2CCC(C)CC2)c2c(n1)c(C)nn2CC
InChIInChI=1S/C17H27N5/c1-5-7-14-18-15-13(4)20-22(6-2)16(15)17(19-14)21-10-8-12(3)9-11-21/h12H,5-11H2,1-4H3
InChIKeyWHWJJYYATGAKGT-UHFFFAOYSA-N
XLogP3.34
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-7-(4-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine?
The IUPAC name of 1-ethyl-3-methyl-7-(4-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine (CID 71687649) is 1-ethyl-3-methyl-7-(4-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 1-ethyl-3-methyl-7-(4-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 1-ethyl-3-methyl-7-(4-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine is CCCc1nc(N2CCC(C)CC2)c2c(n1)c(C)nn2CC.
What is the InChIKey of 1-ethyl-3-methyl-7-(4-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine?
The InChIKey is WHWJJYYATGAKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-5-7-14-18-15-13(4)20-22(6-2)16(15)17(19-14)21-10-8-12(3)9-11-21/h12H,5-11H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-7-(4-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine?
1-ethyl-3-methyl-7-(4-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine has a molecular weight of 301.44 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-7-(4-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 71687649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).