6-ethyl-4-[3-(3-methoxypropyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

C17H27N5O — CID 56903000

IUPAC6-ethyl-4-[3-(3-methoxypropyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCCc1nc(N2CCCC(CCCOC)C2)c2cnn(C)c2n1
InChIInChI=1S/C17H27N5O/c1-4-15-19-16-14(11-18-21(16)2)17(20-15)22-9-5-7-13(12-22)8-6-10-23-3/h11,13H,4-10,12H2,1-3H3
InChIKeyWRQFHBDMPAQMAZ-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.57
Rot. Bonds6

About 6-ethyl-4-[3-(3-methoxypropyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

6-ethyl-4-[3-(3-methoxypropyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 56903000) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 6-ethyl-4-[3-(3-methoxypropyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-[3-(3-methoxypropyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID56903000
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name6-ethyl-4-[3-(3-methoxypropyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCCc1nc(N2CCCC(CCCOC)C2)c2cnn(C)c2n1
InChIInChI=1S/C17H27N5O/c1-4-15-19-16-14(11-18-21(16)2)17(20-15)22-9-5-7-13(12-22)8-6-10-23-3/h11,13H,4-10,12H2,1-3H3
InChIKeyWRQFHBDMPAQMAZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-ethyl-4-[3-(3-methoxypropyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[3-(3-methoxypropyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-ethyl-4-[3-(3-methoxypropyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 56903000) is 6-ethyl-4-[3-(3-methoxypropyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-[3-(3-methoxypropyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-[3-(3-methoxypropyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is CCc1nc(N2CCCC(CCCOC)C2)c2cnn(C)c2n1.
What is the InChIKey of 6-ethyl-4-[3-(3-methoxypropyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is WRQFHBDMPAQMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-4-15-19-16-14(11-18-21(16)2)17(20-15)22-9-5-7-13(12-22)8-6-10-23-3/h11,13H,4-10,12H2,1-3H3.
What are the key properties of 6-ethyl-4-[3-(3-methoxypropyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
6-ethyl-4-[3-(3-methoxypropyl)piperidin-1-yl]-1-methylpyrazolo[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 6-ethyl-4-[3-(3-methoxypropyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 56903000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).