3-[4-(4-aminopyrimidin-5-yl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide

C16H13N7O2S — CID 56603007

IUPAC3-[4-(4-aminopyrimidin-5-yl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide
SMILESNc1ncncc1-c1ccnc2c1cnn2-c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H13N7O2S/c17-15-13(7-19-9-21-15)12-4-5-20-16-14(12)8-22-23(16)10-2-1-3-11(6-10)26(18,24)25/h1-9H,(H2,17,19,21)(H2,18,24,25)
InChIKeyQUUXYRMPAZBAAU-UHFFFAOYSA-N
MW367.39 g/mol
LogP1.11
Rot. Bonds3

About 3-[4-(4-aminopyrimidin-5-yl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide

3-[4-(4-aminopyrimidin-5-yl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide (PubChem CID 56603007) has the molecular formula C16H13N7O2S and a molecular weight of 367.39 g/mol. Its IUPAC name is 3-[4-(4-aminopyrimidin-5-yl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(4-aminopyrimidin-5-yl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide
PubChem CID56603007
Molecular FormulaC16H13N7O2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name3-[4-(4-aminopyrimidin-5-yl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide
SMILESNc1ncncc1-c1ccnc2c1cnn2-c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H13N7O2S/c17-15-13(7-19-9-21-15)12-4-5-20-16-14(12)8-22-23(16)10-2-1-3-11(6-10)26(18,24)25/h1-9H,(H2,17,19,21)(H2,18,24,25)
InChIKeyQUUXYRMPAZBAAU-UHFFFAOYSA-N
XLogP1.11
TPSA142.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-aminopyrimidin-5-yl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide?
The IUPAC name of 3-[4-(4-aminopyrimidin-5-yl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide (CID 56603007) is 3-[4-(4-aminopyrimidin-5-yl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide.
What is the SMILES notation for 3-[4-(4-aminopyrimidin-5-yl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide?
The canonical SMILES for 3-[4-(4-aminopyrimidin-5-yl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide is Nc1ncncc1-c1ccnc2c1cnn2-c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[4-(4-aminopyrimidin-5-yl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide?
The InChIKey is QUUXYRMPAZBAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2S/c17-15-13(7-19-9-21-15)12-4-5-20-16-14(12)8-22-23(16)10-2-1-3-11(6-10)26(18,24)25/h1-9H,(H2,17,19,21)(H2,18,24,25).
What are the key properties of 3-[4-(4-aminopyrimidin-5-yl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide?
3-[4-(4-aminopyrimidin-5-yl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide has a molecular weight of 367.39 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-aminopyrimidin-5-yl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide is sourced from PubChem (CID 56603007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).