N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide

C16H25N5O2S — CID 99818002

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C16H25N5O2S/c1-5-21-8-6-7-13(21)11-19(3)24(22,23)14-9-15-12(2)18-20(4)16(15)17-10-14/h9-10,13H,5-8,11H2,1-4H3/t13-/m1/s1
InChIKeyXPQJDTYOKPIBNU-CYBMUJFWSA-N
MW351.48 g/mol
LogP1.38
Rot. Bonds5

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 99818002) has the molecular formula C16H25N5O2S and a molecular weight of 351.48 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID99818002
Molecular FormulaC16H25N5O2S
Molecular Weight351.48 g/mol
Exact Mass351.17
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C16H25N5O2S/c1-5-21-8-6-7-13(21)11-19(3)24(22,23)14-9-15-12(2)18-20(4)16(15)17-10-14/h9-10,13H,5-8,11H2,1-4H3/t13-/m1/s1
InChIKeyXPQJDTYOKPIBNU-CYBMUJFWSA-N
XLogP1.38
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]acetamide
CID 51103261
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79313037
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 79318720
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 79315278
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 79303073
3-amino-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79303674
methyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 94811344
5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide
CID 79308831
2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-5-sulfonamide
CID 79312411
N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 47075694
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate
CID 51103264
5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-1,3-dimethylpyrazolo[5,4-b]pyridine;hydrochloride
CID 119989639

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide (CID 99818002) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide is CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cnc2c(c1)c(C)nn2C.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is XPQJDTYOKPIBNU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N5O2S/c1-5-21-8-6-7-13(21)11-19(3)24(22,23)14-9-15-12(2)18-20(4)16(15)17-10-14/h9-10,13H,5-8,11H2,1-4H3/t13-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 351.48 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 99818002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).