1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine

C14H22N6O2S — CID 155100110

IUPAC1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine
SMILESCn1ncc2c(N3CCC(CCNS(N)(=O)=O)CC3)ccnc21
InChIInChI=1S/C14H22N6O2S/c1-19-14-12(10-17-19)13(3-6-16-14)20-8-4-11(5-9-20)2-7-18-23(15,21)22/h3,6,10-11,18H,2,4-5,7-9H2,1H3,(H2,15,21,22)
InChIKeySXIOFOSWWBFEKI-UHFFFAOYSA-N
MW338.44 g/mol
LogP0.37
Rot. Bonds5

About 1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine

1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine (PubChem CID 155100110) has the molecular formula C14H22N6O2S and a molecular weight of 338.44 g/mol. Its IUPAC name is 1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine
PubChem CID155100110
Molecular FormulaC14H22N6O2S
Molecular Weight338.44 g/mol
Exact Mass338.15
IUPAC Name1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine
SMILESCn1ncc2c(N3CCC(CCNS(N)(=O)=O)CC3)ccnc21
InChIInChI=1S/C14H22N6O2S/c1-19-14-12(10-17-19)13(3-6-16-14)20-8-4-11(5-9-20)2-7-18-23(15,21)22/h3,6,10-11,18H,2,4-5,7-9H2,1H3,(H2,15,21,22)
InChIKeySXIOFOSWWBFEKI-UHFFFAOYSA-N
XLogP0.37
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine?
The IUPAC name of 1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine (CID 155100110) is 1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine?
The canonical SMILES for 1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine is Cn1ncc2c(N3CCC(CCNS(N)(=O)=O)CC3)ccnc21.
What is the InChIKey of 1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine?
The InChIKey is SXIOFOSWWBFEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2S/c1-19-14-12(10-17-19)13(3-6-16-14)20-8-4-11(5-9-20)2-7-18-23(15,21)22/h3,6,10-11,18H,2,4-5,7-9H2,1H3,(H2,15,21,22).
What are the key properties of 1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine?
1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine has a molecular weight of 338.44 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 155100110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).