2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine

C20H21N3O2S — CID 67229120

IUPAC2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCS(=O)(=O)c1ccc(C(=CC2CCCC2)c2cc3cccnc3[nH]2)cn1
InChIInChI=1S/C20H21N3O2S/c1-26(24,25)19-9-8-16(13-22-19)17(11-14-5-2-3-6-14)18-12-15-7-4-10-21-20(15)23-18/h4,7-14H,2-3,5-6H2,1H3,(H,21,23)
InChIKeyQOXVLJGJRWQLLC-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.98
Rot. Bonds4

About 2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine

2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 67229120) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID67229120
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCS(=O)(=O)c1ccc(C(=CC2CCCC2)c2cc3cccnc3[nH]2)cn1
InChIInChI=1S/C20H21N3O2S/c1-26(24,25)19-9-8-16(13-22-19)17(11-14-5-2-3-6-14)18-12-15-7-4-10-21-20(15)23-18/h4,7-14H,2-3,5-6H2,1H3,(H,21,23)
InChIKeyQOXVLJGJRWQLLC-UHFFFAOYSA-N
XLogP3.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine (CID 67229120) is 2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine is CS(=O)(=O)c1ccc(C(=CC2CCCC2)c2cc3cccnc3[nH]2)cn1.
What is the InChIKey of 2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is QOXVLJGJRWQLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-26(24,25)19-9-8-16(13-22-19)17(11-14-5-2-3-6-14)18-12-15-7-4-10-21-20(15)23-18/h4,7-14H,2-3,5-6H2,1H3,(H,21,23).
What are the key properties of 2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine?
2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 367.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67229120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).