4-(1,3-dimethylpyrazol-4-yl)-1-(1,1-dioxothiolan-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C16H21N5O3S — CID 135632272

IUPAC4-(1,3-dimethylpyrazol-4-yl)-1-(1,1-dioxothiolan-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C)cc1C1CC(=O)Nc2c1c(C)nn2C1CCS(=O)(=O)C1
InChIInChI=1S/C16H21N5O3S/c1-9-13(7-20(3)18-9)12-6-14(22)17-16-15(12)10(2)19-21(16)11-4-5-25(23,24)8-11/h7,11-12H,4-6,8H2,1-3H3,(H,17,22)
InChIKeyVEPVARCWQVAIKZ-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.07
Rot. Bonds2

About 4-(1,3-dimethylpyrazol-4-yl)-1-(1,1-dioxothiolan-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-(1,3-dimethylpyrazol-4-yl)-1-(1,1-dioxothiolan-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135632272) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-1-(1,1-dioxothiolan-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-1-(1,1-dioxothiolan-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135632272
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-1-(1,1-dioxothiolan-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C)cc1C1CC(=O)Nc2c1c(C)nn2C1CCS(=O)(=O)C1
InChIInChI=1S/C16H21N5O3S/c1-9-13(7-20(3)18-9)12-6-14(22)17-16-15(12)10(2)19-21(16)11-4-5-25(23,24)8-11/h7,11-12H,4-6,8H2,1-3H3,(H,17,22)
InChIKeyVEPVARCWQVAIKZ-UHFFFAOYSA-N
XLogP1.07
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-1-(1,1-dioxothiolan-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-1-(1,1-dioxothiolan-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135632272) is 4-(1,3-dimethylpyrazol-4-yl)-1-(1,1-dioxothiolan-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-1-(1,1-dioxothiolan-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-1-(1,1-dioxothiolan-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(C)cc1C1CC(=O)Nc2c1c(C)nn2C1CCS(=O)(=O)C1.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-1-(1,1-dioxothiolan-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is VEPVARCWQVAIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-9-13(7-20(3)18-9)12-6-14(22)17-16-15(12)10(2)19-21(16)11-4-5-25(23,24)8-11/h7,11-12H,4-6,8H2,1-3H3,(H,17,22).
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-1-(1,1-dioxothiolan-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(1,3-dimethylpyrazol-4-yl)-1-(1,1-dioxothiolan-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 363.44 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-1-(1,1-dioxothiolan-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135632272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).