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

C18H19ClN4O3S — CID 95112621

IUPAC2-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-c]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](c3nc4ccncc4n3C)C2)cc1Cl
InChIInChI=1S/C18H19ClN4O3S/c1-22-16-10-20-7-5-15(16)21-18(22)12-6-8-23(11-12)27(24,25)13-3-4-17(26-2)14(19)9-13/h3-5,7,9-10,12H,6,8,11H2,1-2H3/t12-/m1/s1
InChIKeyQDOMQPSYADHWTG-GFCCVEGCSA-N
MW406.90 g/mol
LogP2.81
Rot. Bonds4

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

2-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-c]pyridine (PubChem CID 95112621) has the molecular formula C18H19ClN4O3S and a molecular weight of 406.90 g/mol. Its IUPAC name is 2-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-c]pyridine
PubChem CID95112621
Molecular FormulaC18H19ClN4O3S
Molecular Weight406.90 g/mol
Exact Mass406.09
IUPAC Name2-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-c]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](c3nc4ccncc4n3C)C2)cc1Cl
InChIInChI=1S/C18H19ClN4O3S/c1-22-16-10-20-7-5-15(16)21-18(22)12-6-8-23(11-12)27(24,25)13-3-4-17(26-2)14(19)9-13/h3-5,7,9-10,12H,6,8,11H2,1-2H3/t12-/m1/s1
InChIKeyQDOMQPSYADHWTG-GFCCVEGCSA-N
XLogP2.81
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.90
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine
CID 83275870
2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine
CID 83277271
3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine
CID 53194802
2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine
CID 97429552
1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine
CID 121188731
2-(4-methoxyphenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275837
2-(3-chloro-4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867911
2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110337
1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole
CID 91947112
2-(3-methoxyphenyl)-1-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 95112565
3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine
CID 95112673
(3R)-N-(3-methoxyphenyl)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429379

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-c]pyridine?
The IUPAC name of 2-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-c]pyridine (CID 95112621) is 2-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-c]pyridine is COc1ccc(S(=O)(=O)N2CC[C@@H](c3nc4ccncc4n3C)C2)cc1Cl.
What is the InChIKey of 2-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-c]pyridine?
The InChIKey is QDOMQPSYADHWTG-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClN4O3S/c1-22-16-10-20-7-5-15(16)21-18(22)12-6-8-23(11-12)27(24,25)13-3-4-17(26-2)14(19)9-13/h3-5,7,9-10,12H,6,8,11H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-c]pyridine?
2-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-c]pyridine has a molecular weight of 406.90 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 95112621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).