5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C23H21N5O3 — CID 656026

IUPAC5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1
InChIInChI=1S/C23H21N5O3/c1-31-18-10-8-17(9-11-18)28-22-19(13-25-28)23(30)26(15-24-22)14-21(29)27-12-4-6-16-5-2-3-7-20(16)27/h2-3,5,7-11,13,15H,4,6,12,14H2,1H3
InChIKeyDEDLZTWEYDKVQI-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.57
Rot. Bonds4

About 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one

5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 656026) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID656026
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1
InChIInChI=1S/C23H21N5O3/c1-31-18-10-8-17(9-11-18)28-22-19(13-25-28)23(30)26(15-24-22)14-21(29)27-12-4-6-16-5-2-3-7-20(16)27/h2-3,5,7-11,13,15H,4,6,12,14H2,1H3
InChIKeyDEDLZTWEYDKVQI-UHFFFAOYSA-N
XLogP2.57
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)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

1-(4-methoxyphenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869429
6-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-3-(3-methoxyphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
CID 3239173
1-(4-Methoxy-phenyl)-5-(2-oxo-propyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 1433727
1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3244806
6-(3-fluorophenyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15990659
N-(4-methoxyphenyl)-2-[(4-oxo-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide
CID 136087047
N-(4-Methoxyphenyl)-N~2~-[1-(2-Methylphenyl)-4-Oxo-4,5-Dihydro-1h-Pyrazolo[3,4-D]pyrimidin-6-Yl]-L-Alaninamide
CID 135566753
N-(2-Methoxy-phenyl)-2-(4-oxo-1-phenyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 655913
5-(4-Methoxyphenyl)-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 750040
N-Isopropyl-2-[1-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-acetamide
CID 1433695
N-(4-ethoxyphenyl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide
CID 1444351
5-(4-methoxyphenethyl)-6-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 2033978

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 656026) is 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1.
What is the InChIKey of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DEDLZTWEYDKVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-31-18-10-8-17(9-11-18)28-22-19(13-25-28)23(30)26(15-24-22)14-21(29)27-12-4-6-16-5-2-3-7-20(16)27/h2-3,5,7-11,13,15H,4,6,12,14H2,1H3.
What are the key properties of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 415.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 656026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).