5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-1,3-dimethylpyrazolo[5,4-b]pyridine;hydrochloride

C15H22ClN5O2S — CID 119989639

IUPAC5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-1,3-dimethylpyrazolo[5,4-b]pyridine;hydrochloride
SMILESCc1nn(C)c2ncc(S(=O)(=O)N3CCC4CCC(C3)N4)cc12.Cl
InChIInChI=1S/C15H21N5O2S.ClH/c1-10-14-7-13(8-16-15(14)19(2)18-10)23(21,22)20-6-5-11-3-4-12(9-20)17-11;/h7-8,11-12,17H,3-6,9H2,1-2H3;1H
InChIKeyMFOAMXDJZUTDKD-UHFFFAOYSA-N
MW371.89 g/mol
LogP1.21
Rot. Bonds2

About 5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-1,3-dimethylpyrazolo[5,4-b]pyridine;hydrochloride

5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-1,3-dimethylpyrazolo[5,4-b]pyridine;hydrochloride (PubChem CID 119989639) has the molecular formula C15H22ClN5O2S and a molecular weight of 371.89 g/mol. Its IUPAC name is 5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-1,3-dimethylpyrazolo[5,4-b]pyridine;hydrochloride.

Molecular Properties

Compound Name5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-1,3-dimethylpyrazolo[5,4-b]pyridine;hydrochloride
PubChem CID119989639
Molecular FormulaC15H22ClN5O2S
Molecular Weight371.89 g/mol
Exact Mass371.12
IUPAC Name5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-1,3-dimethylpyrazolo[5,4-b]pyridine;hydrochloride
SMILESCc1nn(C)c2ncc(S(=O)(=O)N3CCC4CCC(C3)N4)cc12.Cl
InChIInChI=1S/C15H21N5O2S.ClH/c1-10-14-7-13(8-16-15(14)19(2)18-10)23(21,22)20-6-5-11-3-4-12(9-20)17-11;/h7-8,11-12,17H,3-6,9H2,1-2H3;1H
InChIKeyMFOAMXDJZUTDKD-UHFFFAOYSA-N
XLogP1.21
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-1,3-dimethylpyrazolo[5,4-b]pyridine;hydrochloride with MolForge

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Related Compounds

1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine
CID 128999371
1,3-dimethyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 119964587
3-(3-bromo-5-methylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120711797
3-(1H-pyrrol-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314182
1,3-dimethyl-N-(2-methylpiperidin-3-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120726657
6-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one
CID 166358995
N-[(3R,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 129490677
3-(3,5-dimethoxyphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989667
1,3-dimethyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrazolo[5,4-b]pyridine-5-sulfonamide
CID 129341409
(3S)-4-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine
CID 124609399
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 99818002
1,3-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120721633

Frequently Asked Questions

What is the IUPAC name of 5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-1,3-dimethylpyrazolo[5,4-b]pyridine;hydrochloride?
The IUPAC name of 5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-1,3-dimethylpyrazolo[5,4-b]pyridine;hydrochloride (CID 119989639) is 5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-1,3-dimethylpyrazolo[5,4-b]pyridine;hydrochloride.
What is the SMILES notation for 5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-1,3-dimethylpyrazolo[5,4-b]pyridine;hydrochloride?
The canonical SMILES for 5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-1,3-dimethylpyrazolo[5,4-b]pyridine;hydrochloride is Cc1nn(C)c2ncc(S(=O)(=O)N3CCC4CCC(C3)N4)cc12.Cl.
What is the InChIKey of 5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-1,3-dimethylpyrazolo[5,4-b]pyridine;hydrochloride?
The InChIKey is MFOAMXDJZUTDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S.ClH/c1-10-14-7-13(8-16-15(14)19(2)18-10)23(21,22)20-6-5-11-3-4-12(9-20)17-11;/h7-8,11-12,17H,3-6,9H2,1-2H3;1H.
What are the key properties of 5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-1,3-dimethylpyrazolo[5,4-b]pyridine;hydrochloride?
5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-1,3-dimethylpyrazolo[5,4-b]pyridine;hydrochloride has a molecular weight of 371.89 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-1,3-dimethylpyrazolo[5,4-b]pyridine;hydrochloride is sourced from PubChem (CID 119989639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).