6-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C18H21N5O2 — CID 135495111

IUPAC6-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCOc1cccc(-n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)n1
InChIInChI=1S/C18H21N5O2/c1-2-25-16-9-5-8-15(22-16)23-17-13(11-19-23)18(24)21-14(20-17)10-12-6-3-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,20,21,24)
InChIKeyHLDOMMKFTWBWCS-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.64
Rot. Bonds5

About 6-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135495111) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135495111
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name6-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCOc1cccc(-n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)n1
InChIInChI=1S/C18H21N5O2/c1-2-25-16-9-5-8-15(22-16)23-17-13(11-19-23)18(24)21-14(20-17)10-12-6-3-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,20,21,24)
InChIKeyHLDOMMKFTWBWCS-UHFFFAOYSA-N
XLogP2.64
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one 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-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135495111) is 6-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCOc1cccc(-n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)n1.
What is the InChIKey of 6-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HLDOMMKFTWBWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-2-25-16-9-5-8-15(22-16)23-17-13(11-19-23)18(24)21-14(20-17)10-12-6-3-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,20,21,24).
What are the key properties of 6-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 339.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethyl)-1-(6-ethoxy-2-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135495111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).