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

C16H21N3O2S — CID 128851562

IUPAC3-(3-cyclopentylpyrrolidin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1c[nH]c2ncccc12)N1CCC(C2CCCC2)C1
InChIInChI=1S/C16H21N3O2S/c20-22(21,15-10-18-16-14(15)6-3-8-17-16)19-9-7-13(11-19)12-4-1-2-5-12/h3,6,8,10,12-13H,1-2,4-5,7,9,11H2,(H,17,18)
InChIKeyFPNXRDXLQFMKOL-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.76
Rot. Bonds3

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

3-(3-cyclopentylpyrrolidin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 128851562) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-(3-cyclopentylpyrrolidin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3-cyclopentylpyrrolidin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID128851562
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name3-(3-cyclopentylpyrrolidin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1c[nH]c2ncccc12)N1CCC(C2CCCC2)C1
InChIInChI=1S/C16H21N3O2S/c20-22(21,15-10-18-16-14(15)6-3-8-17-16)19-9-7-13(11-19)12-4-1-2-5-12/h3,6,8,10,12-13H,1-2,4-5,7,9,11H2,(H,17,18)
InChIKeyFPNXRDXLQFMKOL-UHFFFAOYSA-N
XLogP2.76
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol
CID 55132702
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)pyrrolidine-3-carboxylic acid
CID 63030810
3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
CID 79867718
3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 66212008
1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidine-4-carbaldehyde
CID 63845027
3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 63874430
3-(1,4-diazepan-1-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 61171970
2-methyl-7-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)-1,4-oxazepane
CID 167860161
N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
CID 136527600
5-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine
CID 79993772

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentylpyrrolidin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(3-cyclopentylpyrrolidin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine (CID 128851562) is 3-(3-cyclopentylpyrrolidin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(3-cyclopentylpyrrolidin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(3-cyclopentylpyrrolidin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine is O=S(=O)(c1c[nH]c2ncccc12)N1CCC(C2CCCC2)C1.
What is the InChIKey of 3-(3-cyclopentylpyrrolidin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FPNXRDXLQFMKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c20-22(21,15-10-18-16-14(15)6-3-8-17-16)19-9-7-13(11-19)12-4-1-2-5-12/h3,6,8,10,12-13H,1-2,4-5,7,9,11H2,(H,17,18).
What are the key properties of 3-(3-cyclopentylpyrrolidin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine?
3-(3-cyclopentylpyrrolidin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 319.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentylpyrrolidin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 128851562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).