4-(1-methylpyrazolo[5,4-b]pyridin-6-yl)thiane 1,1-dioxide

C12H15N3O2S — CID 170904373

IUPAC4-(1-methylpyrazolo[5,4-b]pyridin-6-yl)thiane 1,1-dioxide
SMILESCn1ncc2ccc(C3CCS(=O)(=O)CC3)nc21
InChIInChI=1S/C12H15N3O2S/c1-15-12-10(8-13-15)2-3-11(14-12)9-4-6-18(16,17)7-5-9/h2-3,8-9H,4-7H2,1H3
InChIKeyAKYDXLXANTZTSA-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.26
Rot. Bonds1

About 4-(1-methylpyrazolo[5,4-b]pyridin-6-yl)thiane 1,1-dioxide

4-(1-methylpyrazolo[5,4-b]pyridin-6-yl)thiane 1,1-dioxide (PubChem CID 170904373) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-(1-methylpyrazolo[5,4-b]pyridin-6-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(1-methylpyrazolo[5,4-b]pyridin-6-yl)thiane 1,1-dioxide
PubChem CID170904373
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4-(1-methylpyrazolo[5,4-b]pyridin-6-yl)thiane 1,1-dioxide
SMILESCn1ncc2ccc(C3CCS(=O)(=O)CC3)nc21
InChIInChI=1S/C12H15N3O2S/c1-15-12-10(8-13-15)2-3-11(14-12)9-4-6-18(16,17)7-5-9/h2-3,8-9H,4-7H2,1H3
InChIKeyAKYDXLXANTZTSA-UHFFFAOYSA-N
XLogP1.26
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazolo[5,4-b]pyridin-6-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(1-methylpyrazolo[5,4-b]pyridin-6-yl)thiane 1,1-dioxide (CID 170904373) is 4-(1-methylpyrazolo[5,4-b]pyridin-6-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(1-methylpyrazolo[5,4-b]pyridin-6-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(1-methylpyrazolo[5,4-b]pyridin-6-yl)thiane 1,1-dioxide is Cn1ncc2ccc(C3CCS(=O)(=O)CC3)nc21.
What is the InChIKey of 4-(1-methylpyrazolo[5,4-b]pyridin-6-yl)thiane 1,1-dioxide?
The InChIKey is AKYDXLXANTZTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-15-12-10(8-13-15)2-3-11(14-12)9-4-6-18(16,17)7-5-9/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 4-(1-methylpyrazolo[5,4-b]pyridin-6-yl)thiane 1,1-dioxide?
4-(1-methylpyrazolo[5,4-b]pyridin-6-yl)thiane 1,1-dioxide has a molecular weight of 265.34 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazolo[5,4-b]pyridin-6-yl)thiane 1,1-dioxide is sourced from PubChem (CID 170904373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).