2-(1-benzylsulfonylpyrrolidin-3-yl)-3-propan-2-ylimidazo[4,5-c]pyridine

C20H24N4O2S — CID 83272975

IUPAC2-(1-benzylsulfonylpyrrolidin-3-yl)-3-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1c(C2CCN(S(=O)(=O)Cc3ccccc3)C2)nc2ccncc21
InChIInChI=1S/C20H24N4O2S/c1-15(2)24-19-12-21-10-8-18(19)22-20(24)17-9-11-23(13-17)27(25,26)14-16-6-4-3-5-7-16/h3-8,10,12,15,17H,9,11,13-14H2,1-2H3
InChIKeyUGLOWMREAVFWQY-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.33
Rot. Bonds5

About 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-propan-2-ylimidazo[4,5-c]pyridine

2-(1-benzylsulfonylpyrrolidin-3-yl)-3-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 83272975) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-benzylsulfonylpyrrolidin-3-yl)-3-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID83272975
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name2-(1-benzylsulfonylpyrrolidin-3-yl)-3-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1c(C2CCN(S(=O)(=O)Cc3ccccc3)C2)nc2ccncc21
InChIInChI=1S/C20H24N4O2S/c1-15(2)24-19-12-21-10-8-18(19)22-20(24)17-9-11-23(13-17)27(25,26)14-16-6-4-3-5-7-16/h3-8,10,12,15,17H,9,11,13-14H2,1-2H3
InChIKeyUGLOWMREAVFWQY-UHFFFAOYSA-N
XLogP3.33
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.33
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-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-propan-2-ylimidazo[4,5-c]pyridine (CID 83272975) is 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-propan-2-ylimidazo[4,5-c]pyridine is CC(C)n1c(C2CCN(S(=O)(=O)Cc3ccccc3)C2)nc2ccncc21.
What is the InChIKey of 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is UGLOWMREAVFWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-15(2)24-19-12-21-10-8-18(19)22-20(24)17-9-11-23(13-17)27(25,26)14-16-6-4-3-5-7-16/h3-8,10,12,15,17H,9,11,13-14H2,1-2H3.
What are the key properties of 2-(1-benzylsulfonylpyrrolidin-3-yl)-3-propan-2-ylimidazo[4,5-c]pyridine?
2-(1-benzylsulfonylpyrrolidin-3-yl)-3-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 384.51 g/mol, XLogP of 3.33, 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-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 83272975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).