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

Related Compounds

6-(cyclohexylmethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 142874925
1-(2-methylphenyl)-6-[[(1R,2R)-2-nitrosocyclopentyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136635266
6-(cyclohexylmethyl)-1-(2-methylcyclohexa-2,4-dien-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 142964101
2-[2-(chloromethyl)piperidin-1-yl]-6-ethoxypyridine
CID 55212201
6-(cyclopropylmethyl)-1-(thian-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135908601
1-(oxan-4-yl)-6-(oxetan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137255798
6-(cyclopentylmethyl)-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;2,2,2-trifluoroacetic acid
CID 143871185
6-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136741996
6-(chloromethyl)-1-(3-methoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166514772
6-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135733144
[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]methanol
CID 55212590
6-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136706522

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).