2-[(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)sulfanyl]benzamide

C13H11N5OS — CID 89465393

IUPAC2-[(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)sulfanyl]benzamide
SMILESNC(=O)c1ccccc1Sc1cnc2n[nH]c(N)c2c1
InChIInChI=1S/C13H11N5OS/c14-11-9-5-7(6-16-13(9)18-17-11)20-10-4-2-1-3-8(10)12(15)19/h1-6H,(H2,15,19)(H3,14,16,17,18)
InChIKeyURQNDLBXTBTISW-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.79
Rot. Bonds3

About 2-[(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)sulfanyl]benzamide

2-[(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)sulfanyl]benzamide (PubChem CID 89465393) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-[(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)sulfanyl]benzamide.

Molecular Properties

Compound Name2-[(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)sulfanyl]benzamide
PubChem CID89465393
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name2-[(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)sulfanyl]benzamide
SMILESNC(=O)c1ccccc1Sc1cnc2n[nH]c(N)c2c1
InChIInChI=1S/C13H11N5OS/c14-11-9-5-7(6-16-13(9)18-17-11)20-10-4-2-1-3-8(10)12(15)19/h1-6H,(H2,15,19)(H3,14,16,17,18)
InChIKeyURQNDLBXTBTISW-UHFFFAOYSA-N
XLogP1.79
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)sulfanyl]benzamide?
The IUPAC name of 2-[(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)sulfanyl]benzamide (CID 89465393) is 2-[(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)sulfanyl]benzamide.
What is the SMILES notation for 2-[(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)sulfanyl]benzamide?
The canonical SMILES for 2-[(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)sulfanyl]benzamide is NC(=O)c1ccccc1Sc1cnc2n[nH]c(N)c2c1.
What is the InChIKey of 2-[(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)sulfanyl]benzamide?
The InChIKey is URQNDLBXTBTISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c14-11-9-5-7(6-16-13(9)18-17-11)20-10-4-2-1-3-8(10)12(15)19/h1-6H,(H2,15,19)(H3,14,16,17,18).
What are the key properties of 2-[(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)sulfanyl]benzamide?
2-[(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)sulfanyl]benzamide has a molecular weight of 285.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)sulfanyl]benzamide is sourced from PubChem (CID 89465393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).