1-(2-phenoxyethyl)-5-(2-pyridin-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one

C20H19N5O2 — CID 126789645

IUPAC1-(2-phenoxyethyl)-5-(2-pyridin-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(CCOc3ccccc3)c2ncn1CCc1ccccn1
InChIInChI=1S/C20H19N5O2/c26-20-18-14-23-25(12-13-27-17-7-2-1-3-8-17)19(18)22-15-24(20)11-9-16-6-4-5-10-21-16/h1-8,10,14-15H,9,11-13H2
InChIKeyMBHPOKVMMZGISV-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.31
Rot. Bonds7

About 1-(2-phenoxyethyl)-5-(2-pyridin-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one

1-(2-phenoxyethyl)-5-(2-pyridin-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 126789645) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-5-(2-pyridin-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-5-(2-pyridin-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID126789645
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name1-(2-phenoxyethyl)-5-(2-pyridin-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(CCOc3ccccc3)c2ncn1CCc1ccccn1
InChIInChI=1S/C20H19N5O2/c26-20-18-14-23-25(12-13-27-17-7-2-1-3-8-17)19(18)22-15-24(20)11-9-16-6-4-5-10-21-16/h1-8,10,14-15H,9,11-13H2
InChIKeyMBHPOKVMMZGISV-UHFFFAOYSA-N
XLogP2.31
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-phenoxyethyl)-5-prop-2-enylpyrazolo[5,4-d]pyrimidin-4-one
CID 154740707
1-(2-aminoethyl)-5-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 97036262
2-[3-(4-phenoxyphenoxy)propyl]pyridine
CID 14154439
4-[1-(2-phenoxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 1098828
2-(2-phenoxyethyl)pyridazin-3-one
CID 176899084
2-(5-phenoxypentyl)pyridine;hydrochloride
CID 117067687
3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 16881983
1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 653837
1-(2-aminoethyl)-5-propylpyrazolo[5,4-d]pyrimidin-4-one
CID 97036259
5-bromo-3-(2-phenoxyethyl)pyrimidin-4-one
CID 66310199
methyl 3-[1-(3-methoxy-3-oxopropyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoate
CID 102282878
5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one
CID 11580840

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-5-(2-pyridin-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-phenoxyethyl)-5-(2-pyridin-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 126789645) is 1-(2-phenoxyethyl)-5-(2-pyridin-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-phenoxyethyl)-5-(2-pyridin-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-phenoxyethyl)-5-(2-pyridin-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(CCOc3ccccc3)c2ncn1CCc1ccccn1.
What is the InChIKey of 1-(2-phenoxyethyl)-5-(2-pyridin-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is MBHPOKVMMZGISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-20-18-14-23-25(12-13-27-17-7-2-1-3-8-17)19(18)22-15-24(20)11-9-16-6-4-5-10-21-16/h1-8,10,14-15H,9,11-13H2.
What are the key properties of 1-(2-phenoxyethyl)-5-(2-pyridin-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-phenoxyethyl)-5-(2-pyridin-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 361.41 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-5-(2-pyridin-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 126789645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).