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

C20H24N4O3S — CID 87054401

IUPAC2-(1-benzylsulfonylpyrrolidin-3-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
SMILESCOCCn1c(C2CCN(S(=O)(=O)Cc3ccccc3)C2)nc2cccnc21
InChIInChI=1S/C20H24N4O3S/c1-27-13-12-24-19(22-18-8-5-10-21-20(18)24)17-9-11-23(14-17)28(25,26)15-16-6-3-2-4-7-16/h2-8,10,17H,9,11-15H2,1H3
InChIKeyIZFKFTHDUXWALN-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.40
Rot. Bonds7

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

2-(1-benzylsulfonylpyrrolidin-3-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine (PubChem CID 87054401) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-benzylsulfonylpyrrolidin-3-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
PubChem CID87054401
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name2-(1-benzylsulfonylpyrrolidin-3-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
SMILESCOCCn1c(C2CCN(S(=O)(=O)Cc3ccccc3)C2)nc2cccnc21
InChIInChI=1S/C20H24N4O3S/c1-27-13-12-24-19(22-18-8-5-10-21-20(18)24)17-9-11-23(14-17)28(25,26)15-16-6-3-2-4-7-16/h2-8,10,17H,9,11-15H2,1H3
InChIKeyIZFKFTHDUXWALN-UHFFFAOYSA-N
XLogP2.40
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117160046
[(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95110214
3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 53191211
(2-ethoxyphenyl)-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone
CID 53191203
(2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone
CID 95110202
3-(2-methoxyethyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117162749
2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117161749
2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 53191312
2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110337
3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine
CID 46286859
2-(1-ethylpiperidin-2-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117162752
3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 97429271

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine (CID 87054401) is 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine is COCCn1c(C2CCN(S(=O)(=O)Cc3ccccc3)C2)nc2cccnc21.
What is the InChIKey of 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine?
The InChIKey is IZFKFTHDUXWALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-27-13-12-24-19(22-18-8-5-10-21-20(18)24)17-9-11-23(14-17)28(25,26)15-16-6-3-2-4-7-16/h2-8,10,17H,9,11-15H2,1H3.
What are the key properties of 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine?
2-(1-benzylsulfonylpyrrolidin-3-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine has a molecular weight of 400.50 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 87054401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).