3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine

C13H18N4O2S — CID 63874430

IUPAC3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
SMILESCC1CN(S(=O)(=O)c2c[nH]c3ncccc23)CC(C)N1
InChIInChI=1S/C13H18N4O2S/c1-9-7-17(8-10(2)16-9)20(18,19)12-6-15-13-11(12)4-3-5-14-13/h3-6,9-10,16H,7-8H2,1-2H3,(H,14,15)
InChIKeyQFUJJVBYCWBBSY-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.93
Rot. Bonds2

About 3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine

3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 63874430) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID63874430
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
SMILESCC1CN(S(=O)(=O)c2c[nH]c3ncccc23)CC(C)N1
InChIInChI=1S/C13H18N4O2S/c1-9-7-17(8-10(2)16-9)20(18,19)12-6-15-13-11(12)4-3-5-14-13/h3-6,9-10,16H,7-8H2,1-2H3,(H,14,15)
InChIKeyQFUJJVBYCWBBSY-UHFFFAOYSA-N
XLogP0.93
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 66212008
5-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine
CID 79993772
3-(3-cyclopentylpyrrolidin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 128851562
3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
CID 79867718
1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol
CID 55132702
3-(2,6-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 63909044
1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine
CID 61168849
[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-yl]methanol
CID 62370984
1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidine-4-carbaldehyde
CID 63845027
1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidine-3-carboxylic acid
CID 63030810
2-methyl-7-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)-1,4-oxazepane
CID 167860161
3-(1,4-diazepan-1-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 61171970

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine (CID 63874430) is 3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine is CC1CN(S(=O)(=O)c2c[nH]c3ncccc23)CC(C)N1.
What is the InChIKey of 3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is QFUJJVBYCWBBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9-7-17(8-10(2)16-9)20(18,19)12-6-15-13-11(12)4-3-5-14-13/h3-6,9-10,16H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine?
3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 294.38 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 63874430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).