5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-one

C22H25N5O3 — CID 139003459

IUPAC5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCCOc1ccccc1N1CCN(C(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)CC1
InChIInChI=1S/C22H25N5O3/c1-3-30-20-7-5-4-6-19(20)25-10-12-26(13-11-25)22(29)17-8-9-21(28)27(15-17)18-14-23-24(2)16-18/h4-9,14-16H,3,10-13H2,1-2H3
InChIKeyLPKFTVFSQZHHRT-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.93
Rot. Bonds5

About 5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-one

5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-one (PubChem CID 139003459) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-one
PubChem CID139003459
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCCOc1ccccc1N1CCN(C(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)CC1
InChIInChI=1S/C22H25N5O3/c1-3-30-20-7-5-4-6-19(20)25-10-12-26(13-11-25)22(29)17-8-9-21(28)27(15-17)18-14-23-24(2)16-18/h4-9,14-16H,3,10-13H2,1-2H3
InChIKeyLPKFTVFSQZHHRT-UHFFFAOYSA-N
XLogP1.93
TPSA72.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-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

5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one
CID 91954902
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9069026
[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 9415301
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]benzonitrile
CID 9415484
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9415328
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 34361675
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
CID 9415255
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 9415526
(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415517
5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one
CID 91945531

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-one?
The IUPAC name of 5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-one (CID 139003459) is 5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-one is CCOc1ccccc1N1CCN(C(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)CC1.
What is the InChIKey of 5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-one?
The InChIKey is LPKFTVFSQZHHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-3-30-20-7-5-4-6-19(20)25-10-12-26(13-11-25)22(29)17-8-9-21(28)27(15-17)18-14-23-24(2)16-18/h4-9,14-16H,3,10-13H2,1-2H3.
What are the key properties of 5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-one?
5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-one has a molecular weight of 407.47 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 139003459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).