3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine

C17H20N4O3S2 — CID 95112673

IUPAC3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine
SMILESCOCCn1c([C@@H]2CCN(S(=O)(=O)c3cccs3)C2)nc2ccncc21
InChIInChI=1S/C17H20N4O3S2/c1-24-9-8-21-15-11-18-6-4-14(15)19-17(21)13-5-7-20(12-13)26(22,23)16-3-2-10-25-16/h2-4,6,10-11,13H,5,7-9,12H2,1H3/t13-/m1/s1
InChIKeyJMZMURQZXXKWSC-CYBMUJFWSA-N
MW392.51 g/mol
LogP2.32
Rot. Bonds6

About 3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine

3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine (PubChem CID 95112673) has the molecular formula C17H20N4O3S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine
PubChem CID95112673
Molecular FormulaC17H20N4O3S2
Molecular Weight392.51 g/mol
Exact Mass392.10
IUPAC Name3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine
SMILESCOCCn1c([C@@H]2CCN(S(=O)(=O)c3cccs3)C2)nc2ccncc21
InChIInChI=1S/C17H20N4O3S2/c1-24-9-8-21-15-11-18-6-4-14(15)19-17(21)13-5-7-20(12-13)26(22,23)16-3-2-10-25-16/h2-4,6,10-11,13H,5,7-9,12H2,1H3/t13-/m1/s1
InChIKeyJMZMURQZXXKWSC-CYBMUJFWSA-N
XLogP2.32
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 53194816
(2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one
CID 97429635
N-[(3-fluorophenyl)methyl]-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide
CID 53194824
3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine
CID 83275870
2-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-c]pyridine
CID 95112621
(3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine
CID 95632946
3-(3-methoxypropyl)-2-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridine
CID 66785612
2-(1-benzylsulfonylpyrrolidin-3-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 87054401
(4-pyridin-4-ylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 46362695
2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole
CID 91601557
3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119984000
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine (CID 95112673) is 3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine is COCCn1c([C@@H]2CCN(S(=O)(=O)c3cccs3)C2)nc2ccncc21.
What is the InChIKey of 3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine?
The InChIKey is JMZMURQZXXKWSC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O3S2/c1-24-9-8-21-15-11-18-6-4-14(15)19-17(21)13-5-7-20(12-13)26(22,23)16-3-2-10-25-16/h2-4,6,10-11,13H,5,7-9,12H2,1H3/t13-/m1/s1.
What are the key properties of 3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine?
3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine has a molecular weight of 392.51 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 95112673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).