2-(1-benzylsulfonylpyrrolidin-3-yl)-3-ethylimidazo[4,5-b]pyridine

C19H22N4O2S — CID 53191294

IUPAC2-(1-benzylsulfonylpyrrolidin-3-yl)-3-ethylimidazo[4,5-b]pyridine
SMILESCCn1c(C2CCN(S(=O)(=O)Cc3ccccc3)C2)nc2cccnc21
InChIInChI=1S/C19H22N4O2S/c1-2-23-18(21-17-9-6-11-20-19(17)23)16-10-12-22(13-16)26(24,25)14-15-7-4-3-5-8-15/h3-9,11,16H,2,10,12-14H2,1H3
InChIKeyNLEYVZBZCRUMSO-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.77
Rot. Bonds5

About 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-ethylimidazo[4,5-b]pyridine

2-(1-benzylsulfonylpyrrolidin-3-yl)-3-ethylimidazo[4,5-b]pyridine (PubChem CID 53191294) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-ethylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-benzylsulfonylpyrrolidin-3-yl)-3-ethylimidazo[4,5-b]pyridine
PubChem CID53191294
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-(1-benzylsulfonylpyrrolidin-3-yl)-3-ethylimidazo[4,5-b]pyridine
SMILESCCn1c(C2CCN(S(=O)(=O)Cc3ccccc3)C2)nc2cccnc21
InChIInChI=1S/C19H22N4O2S/c1-2-23-18(21-17-9-6-11-20-19(17)23)16-10-12-22(13-16)26(24,25)14-15-7-4-3-5-8-15/h3-9,11,16H,2,10,12-14H2,1H3
InChIKeyNLEYVZBZCRUMSO-UHFFFAOYSA-N
XLogP2.77
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-ethylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-ethylimidazo[4,5-b]pyridine (CID 53191294) is 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-ethylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-ethylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-ethylimidazo[4,5-b]pyridine is CCn1c(C2CCN(S(=O)(=O)Cc3ccccc3)C2)nc2cccnc21.
What is the InChIKey of 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-ethylimidazo[4,5-b]pyridine?
The InChIKey is NLEYVZBZCRUMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-2-23-18(21-17-9-6-11-20-19(17)23)16-10-12-22(13-16)26(24,25)14-15-7-4-3-5-8-15/h3-9,11,16H,2,10,12-14H2,1H3.
What are the key properties of 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-ethylimidazo[4,5-b]pyridine?
2-(1-benzylsulfonylpyrrolidin-3-yl)-3-ethylimidazo[4,5-b]pyridine has a molecular weight of 370.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-ethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 53191294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).