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

C14H19N3O3S — CID 137275701

IUPAC1-(1,1-dioxothiolan-3-yl)-3-methyl-6-propyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCCc1cc(=O)c2c(C)nn(C3CCS(=O)(=O)C3)c2[nH]1
InChIInChI=1S/C14H19N3O3S/c1-3-4-10-7-12(18)13-9(2)16-17(14(13)15-10)11-5-6-21(19,20)8-11/h7,11H,3-6,8H2,1-2H3,(H,15,18)
InChIKeyRZBTVDPBSGBSEB-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.35
Rot. Bonds3

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

1-(1,1-dioxothiolan-3-yl)-3-methyl-6-propyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 137275701) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-methyl-6-propyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-methyl-6-propyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID137275701
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-methyl-6-propyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCCc1cc(=O)c2c(C)nn(C3CCS(=O)(=O)C3)c2[nH]1
InChIInChI=1S/C14H19N3O3S/c1-3-4-10-7-12(18)13-9(2)16-17(14(13)15-10)11-5-6-21(19,20)8-11/h7,11H,3-6,8H2,1-2H3,(H,15,18)
InChIKeyRZBTVDPBSGBSEB-UHFFFAOYSA-N
XLogP1.35
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-methyl-6-propyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-methyl-6-propyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 137275701) is 1-(1,1-dioxothiolan-3-yl)-3-methyl-6-propyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-methyl-6-propyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-methyl-6-propyl-7H-pyrazolo[5,4-b]pyridin-4-one is CCCc1cc(=O)c2c(C)nn(C3CCS(=O)(=O)C3)c2[nH]1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-methyl-6-propyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is RZBTVDPBSGBSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-4-10-7-12(18)13-9(2)16-17(14(13)15-10)11-5-6-21(19,20)8-11/h7,11H,3-6,8H2,1-2H3,(H,15,18).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-methyl-6-propyl-7H-pyrazolo[5,4-b]pyridin-4-one?
1-(1,1-dioxothiolan-3-yl)-3-methyl-6-propyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 309.39 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-methyl-6-propyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 137275701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).