1-(4-methoxyphenyl)-2-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]ethanone

C24H23N3O6S — CID 66581228

IUPAC1-(4-methoxyphenyl)-2-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]ethanone
SMILESCOc1ccc(C(=O)Cn2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)cc1
InChIInChI=1S/C24H23N3O6S/c1-32-17-8-6-16(7-9-17)20(28)14-27-23-18-4-2-3-5-21(18)34(30,31)15-19(23)22(25-27)24(29)26-10-12-33-13-11-26/h2-9H,10-15H2,1H3
InChIKeyFQWOWQILDMIFMC-UHFFFAOYSA-N
MW481.53 g/mol
LogP2.20
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]ethanone

1-(4-methoxyphenyl)-2-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]ethanone (PubChem CID 66581228) has the molecular formula C24H23N3O6S and a molecular weight of 481.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]ethanone
PubChem CID66581228
Molecular FormulaC24H23N3O6S
Molecular Weight481.53 g/mol
Exact Mass481.13
IUPAC Name1-(4-methoxyphenyl)-2-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]ethanone
SMILESCOc1ccc(C(=O)Cn2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)cc1
InChIInChI=1S/C24H23N3O6S/c1-32-17-8-6-16(7-9-17)20(28)14-27-23-18-4-2-3-5-21(18)34(30,31)15-19(23)22(25-27)24(29)26-10-12-33-13-11-26/h2-9H,10-15H2,1H3
InChIKeyFQWOWQILDMIFMC-UHFFFAOYSA-N
XLogP2.20
TPSA107.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(4-methoxyphenyl)-2-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]ethanone 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

N-(2-Ethoxyphenyl)-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017100
N-[2-(4-Ethoxyphenyl)ethyl]-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017196
[4-(4-Methoxyphenyl)-1-piperazinyl](1-methyl-5,5-dioxido-1,4-dihydrothiochromeno[4,3-C]pyrazol-3-YL)methanone
CID 16017760
N-[(4-methoxyphenyl)methyl]-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 16017780
N-(2-ethoxybenzyl)-1-methyl-1,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide 5,5-dioxide
CID 16017807
N-(2,5-dimethoxybenzyl)-1-methyl-1,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide 5,5-dioxide
CID 16017815
N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-1,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide 5,5-dioxide
CID 22519950
N-(4-methoxyphenyl)-1-methyl-1,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide 5,5-dioxide
CID 22519975
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-methyl-1,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide 5,5-dioxide
CID 22519993
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-1,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide 5,5-dioxide
CID 22519923
6-Methoxy-3-(morpholin-4-ylcarbonyl)-1-phenyl-1,4-dihydrothiochromeno[4,3-c]pyrazole 5,5-dioxide
CID 52950345
[1-[3-(furan-3-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 52950352

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]ethanone (CID 66581228) is 1-(4-methoxyphenyl)-2-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]ethanone is COc1ccc(C(=O)Cn2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]ethanone?
The InChIKey is FQWOWQILDMIFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6S/c1-32-17-8-6-16(7-9-17)20(28)14-27-23-18-4-2-3-5-21(18)34(30,31)15-19(23)22(25-27)24(29)26-10-12-33-13-11-26/h2-9H,10-15H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]ethanone?
1-(4-methoxyphenyl)-2-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]ethanone has a molecular weight of 481.53 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]ethanone is sourced from PubChem (CID 66581228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).