4-[3-(2-methoxyethyl)piperidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine

C17H27N5O — CID 56900376

IUPAC4-[3-(2-methoxyethyl)piperidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine
SMILESCCCc1nc(N2CCCC(CCOC)C2)c2cnn(C)c2n1
InChIInChI=1S/C17H27N5O/c1-4-6-15-19-16-14(11-18-21(16)2)17(20-15)22-9-5-7-13(12-22)8-10-23-3/h11,13H,4-10,12H2,1-3H3
InChIKeyYBGQSVGKDWROJX-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.57
Rot. Bonds6

About 4-[3-(2-methoxyethyl)piperidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine

4-[3-(2-methoxyethyl)piperidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine (PubChem CID 56900376) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 4-[3-(2-methoxyethyl)piperidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(2-methoxyethyl)piperidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine
PubChem CID56900376
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name4-[3-(2-methoxyethyl)piperidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine
SMILESCCCc1nc(N2CCCC(CCOC)C2)c2cnn(C)c2n1
InChIInChI=1S/C17H27N5O/c1-4-6-15-19-16-14(11-18-21(16)2)17(20-15)22-9-5-7-13(12-22)8-10-23-3/h11,13H,4-10,12H2,1-3H3
InChIKeyYBGQSVGKDWROJX-UHFFFAOYSA-N
XLogP2.57
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethyl)piperidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[3-(2-methoxyethyl)piperidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine (CID 56900376) is 4-[3-(2-methoxyethyl)piperidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[3-(2-methoxyethyl)piperidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[3-(2-methoxyethyl)piperidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine is CCCc1nc(N2CCCC(CCOC)C2)c2cnn(C)c2n1.
What is the InChIKey of 4-[3-(2-methoxyethyl)piperidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine?
The InChIKey is YBGQSVGKDWROJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-4-6-15-19-16-14(11-18-21(16)2)17(20-15)22-9-5-7-13(12-22)8-10-23-3/h11,13H,4-10,12H2,1-3H3.
What are the key properties of 4-[3-(2-methoxyethyl)piperidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine?
4-[3-(2-methoxyethyl)piperidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine has a molecular weight of 317.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethyl)piperidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 56900376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).