N-[(3R,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide

C15H23N5O2S — CID 129490677

IUPACN-[(3R,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCN1C[C@@H](C)[C@@H](NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1
InChIInChI=1S/C15H23N5O2S/c1-5-20-8-10(2)14(9-20)18-23(21,22)12-6-13-11(3)17-19(4)15(13)16-7-12/h6-7,10,14,18H,5,8-9H2,1-4H3/t10-,14+/m1/s1
InChIKeyWLJAXIZGDUXVRL-YGRLFVJLSA-N
MW337.45 g/mol
LogP0.90
Rot. Bonds4

About N-[(3R,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide

N-[(3R,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 129490677) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[(3R,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID129490677
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC NameN-[(3R,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCN1C[C@@H](C)[C@@H](NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1
InChIInChI=1S/C15H23N5O2S/c1-5-20-8-10(2)14(9-20)18-23(21,22)12-6-13-11(3)17-19(4)15(13)16-7-12/h6-7,10,14,18H,5,8-9H2,1-4H3/t10-,14+/m1/s1
InChIKeyWLJAXIZGDUXVRL-YGRLFVJLSA-N
XLogP0.90
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-[(3R,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide (CID 129490677) is N-[(3R,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-[(3R,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-[(3R,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide is CCN1C[C@@H](C)[C@@H](NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1.
What is the InChIKey of N-[(3R,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is WLJAXIZGDUXVRL-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-5-20-8-10(2)14(9-20)18-23(21,22)12-6-13-11(3)17-19(4)15(13)16-7-12/h6-7,10,14,18H,5,8-9H2,1-4H3/t10-,14+/m1/s1.
What are the key properties of N-[(3R,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
N-[(3R,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 129490677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).