6-[[(6-chloro-1-methylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]pyridine-3-sulfonamide

C13H13ClN6O2S — CID 156538991

IUPAC6-[[(6-chloro-1-methylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]pyridine-3-sulfonamide
SMILESCn1ncc2c(NCc3ccc(S(N)(=O)=O)cn3)cc(Cl)nc21
InChIInChI=1S/C13H13ClN6O2S/c1-20-13-10(7-18-20)11(4-12(14)19-13)17-5-8-2-3-9(6-16-8)23(15,21)22/h2-4,6-7H,5H2,1H3,(H,17,19)(H2,15,21,22)
InChIKeyUUXDCZFHXNSMAY-UHFFFAOYSA-N
MW352.81 g/mol
LogP1.28
Rot. Bonds4

About 6-[[(6-chloro-1-methylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]pyridine-3-sulfonamide

6-[[(6-chloro-1-methylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]pyridine-3-sulfonamide (PubChem CID 156538991) has the molecular formula C13H13ClN6O2S and a molecular weight of 352.81 g/mol. Its IUPAC name is 6-[[(6-chloro-1-methylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[(6-chloro-1-methylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]pyridine-3-sulfonamide
PubChem CID156538991
Molecular FormulaC13H13ClN6O2S
Molecular Weight352.81 g/mol
Exact Mass352.05
IUPAC Name6-[[(6-chloro-1-methylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]pyridine-3-sulfonamide
SMILESCn1ncc2c(NCc3ccc(S(N)(=O)=O)cn3)cc(Cl)nc21
InChIInChI=1S/C13H13ClN6O2S/c1-20-13-10(7-18-20)11(4-12(14)19-13)17-5-8-2-3-9(6-16-8)23(15,21)22/h2-4,6-7H,5H2,1H3,(H,17,19)(H2,15,21,22)
InChIKeyUUXDCZFHXNSMAY-UHFFFAOYSA-N
XLogP1.28
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.81
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[(6-chloro-1-methylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-[[(6-chloro-1-methylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]pyridine-3-sulfonamide (CID 156538991) is 6-[[(6-chloro-1-methylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[[(6-chloro-1-methylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[[(6-chloro-1-methylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]pyridine-3-sulfonamide is Cn1ncc2c(NCc3ccc(S(N)(=O)=O)cn3)cc(Cl)nc21.
What is the InChIKey of 6-[[(6-chloro-1-methylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]pyridine-3-sulfonamide?
The InChIKey is UUXDCZFHXNSMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN6O2S/c1-20-13-10(7-18-20)11(4-12(14)19-13)17-5-8-2-3-9(6-16-8)23(15,21)22/h2-4,6-7H,5H2,1H3,(H,17,19)(H2,15,21,22).
What are the key properties of 6-[[(6-chloro-1-methylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]pyridine-3-sulfonamide?
6-[[(6-chloro-1-methylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]pyridine-3-sulfonamide has a molecular weight of 352.81 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(6-chloro-1-methylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 156538991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).