6-cyclopentyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

C18H28N6O — CID 56888300

IUPAC6-cyclopentyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCOCCN1CCN(c2nc(C3CCCC3)nc3c2cnn3C)CC1
InChIInChI=1S/C18H28N6O/c1-22-17-15(13-19-22)18(21-16(20-17)14-5-3-4-6-14)24-9-7-23(8-10-24)11-12-25-2/h13-14H,3-12H2,1-2H3
InChIKeyDPZUHWWHVHBGGO-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.79
Rot. Bonds5

About 6-cyclopentyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

6-cyclopentyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 56888300) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 6-cyclopentyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-cyclopentyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID56888300
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name6-cyclopentyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCOCCN1CCN(c2nc(C3CCCC3)nc3c2cnn3C)CC1
InChIInChI=1S/C18H28N6O/c1-22-17-15(13-19-22)18(21-16(20-17)14-5-3-4-6-14)24-9-7-23(8-10-24)11-12-25-2/h13-14H,3-12H2,1-2H3
InChIKeyDPZUHWWHVHBGGO-UHFFFAOYSA-N
XLogP1.79
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-cyclopentyl-4-[4-(2-methoxyethyl)piperazin-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-cyclopentyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-cyclopentyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 56888300) is 6-cyclopentyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-cyclopentyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-cyclopentyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is COCCN1CCN(c2nc(C3CCCC3)nc3c2cnn3C)CC1.
What is the InChIKey of 6-cyclopentyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is DPZUHWWHVHBGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-22-17-15(13-19-22)18(21-16(20-17)14-5-3-4-6-14)24-9-7-23(8-10-24)11-12-25-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 6-cyclopentyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
6-cyclopentyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 344.46 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 56888300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).