2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine

C18H20N4O3S — CID 95110337

IUPAC2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](c3nc4cccnc4n3C)C2)cc1
InChIInChI=1S/C18H20N4O3S/c1-21-17(20-16-4-3-10-19-18(16)21)13-9-11-22(12-13)26(23,24)15-7-5-14(25-2)6-8-15/h3-8,10,13H,9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyZHUGDJIMMSVULK-CYBMUJFWSA-N
MW372.45 g/mol
LogP2.16
Rot. Bonds4

About 2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine

2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine (PubChem CID 95110337) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
PubChem CID95110337
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](c3nc4cccnc4n3C)C2)cc1
InChIInChI=1S/C18H20N4O3S/c1-21-17(20-16-4-3-10-19-18(16)21)13-9-11-22(12-13)26(23,24)15-7-5-14(25-2)6-8-15/h3-8,10,13H,9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyZHUGDJIMMSVULK-CYBMUJFWSA-N
XLogP2.16
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110331
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 87054380
3-methyl-2-[(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 95110344
3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 97429271
2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 53191312
3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine
CID 46344225
3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913762
5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 95845003
2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 95110380
3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162037
1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
CID 121084236
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558874

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine (CID 95110337) is 2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine is COc1ccc(S(=O)(=O)N2CC[C@@H](c3nc4cccnc4n3C)C2)cc1.
What is the InChIKey of 2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine?
The InChIKey is ZHUGDJIMMSVULK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-21-17(20-16-4-3-10-19-18(16)21)13-9-11-22(12-13)26(23,24)15-7-5-14(25-2)6-8-15/h3-8,10,13H,9,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine?
2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine has a molecular weight of 372.45 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 95110337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).