1-(1,1-dioxothiolan-3-yl)-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

C19H23N3O4S — CID 10810371

IUPAC1-(1,1-dioxothiolan-3-yl)-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(C2CCS(=O)(=O)C2)c2c1CCN(c1cccc(OC)c1)C2=O
InChIInChI=1S/C19H23N3O4S/c1-3-17-16-7-9-21(13-5-4-6-15(11-13)26-2)19(23)18(16)22(20-17)14-8-10-27(24,25)12-14/h4-6,11,14H,3,7-10,12H2,1-2H3
InChIKeyLSARSGAQJQDEIH-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.02
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

1-(1,1-dioxothiolan-3-yl)-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 10810371) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID10810371
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(C2CCS(=O)(=O)C2)c2c1CCN(c1cccc(OC)c1)C2=O
InChIInChI=1S/C19H23N3O4S/c1-3-17-16-7-9-21(13-5-4-6-15(11-13)26-2)19(23)18(16)22(20-17)14-8-10-27(24,25)12-14/h4-6,11,14H,3,7-10,12H2,1-2H3
InChIKeyLSARSGAQJQDEIH-UHFFFAOYSA-N
XLogP2.02
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55572745
1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 71179514
1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-carboxylic acid
CID 107430847
N-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 134705733
5-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-methoxyphenyl)pyrazole-3-carboxamide
CID 42475951
6-(hydroxymethyl)-3-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115009739
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide
CID 18155646
(5Z)-5-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methylidene]-4-(3-methoxyphenyl)imino-1,3-thiazolidin-2-one
CID 136899529
1-(3-methoxyphenyl)-3-sulfanylpyrrolidin-2-one
CID 58957147
(5R)-3-[[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 9242313
(5S)-3-[[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 9242321
1-(1,1-dioxothiolan-3-yl)-3-(3-ethyl-1-methylpyrazol-4-yl)pyrazol-5-amine
CID 102810616

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 10810371) is 1-(1,1-dioxothiolan-3-yl)-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CCc1nn(C2CCS(=O)(=O)C2)c2c1CCN(c1cccc(OC)c1)C2=O.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is LSARSGAQJQDEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-3-17-16-7-9-21(13-5-4-6-15(11-13)26-2)19(23)18(16)22(20-17)14-8-10-27(24,25)12-14/h4-6,11,14H,3,7-10,12H2,1-2H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
1-(1,1-dioxothiolan-3-yl)-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 389.48 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 10810371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).