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

C20H24N4O2S — CID 53186955

IUPAC3-(1-benzylsulfonylpyrrolidin-3-yl)-2-propylimidazo[4,5-b]pyridine
SMILESCCCc1nc2cccnc2n1C1CCN(S(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H24N4O2S/c1-2-7-19-22-18-10-6-12-21-20(18)24(19)17-11-13-23(14-17)27(25,26)15-16-8-4-3-5-9-16/h3-6,8-10,12,17H,2,7,11,13-15H2,1H3
InChIKeyPTOBJTQMCPLLFT-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.16
Rot. Bonds6

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

3-(1-benzylsulfonylpyrrolidin-3-yl)-2-propylimidazo[4,5-b]pyridine (PubChem CID 53186955) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 3-(1-benzylsulfonylpyrrolidin-3-yl)-2-propylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1-benzylsulfonylpyrrolidin-3-yl)-2-propylimidazo[4,5-b]pyridine
PubChem CID53186955
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name3-(1-benzylsulfonylpyrrolidin-3-yl)-2-propylimidazo[4,5-b]pyridine
SMILESCCCc1nc2cccnc2n1C1CCN(S(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H24N4O2S/c1-2-7-19-22-18-10-6-12-21-20(18)24(19)17-11-13-23(14-17)27(25,26)15-16-8-4-3-5-9-16/h3-6,8-10,12,17H,2,7,11,13-15H2,1H3
InChIKeyPTOBJTQMCPLLFT-UHFFFAOYSA-N
XLogP3.16
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylsulfonylpyrrolidin-3-yl)-2-propylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(1-benzylsulfonylpyrrolidin-3-yl)-2-propylimidazo[4,5-b]pyridine (CID 53186955) is 3-(1-benzylsulfonylpyrrolidin-3-yl)-2-propylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1-benzylsulfonylpyrrolidin-3-yl)-2-propylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1-benzylsulfonylpyrrolidin-3-yl)-2-propylimidazo[4,5-b]pyridine is CCCc1nc2cccnc2n1C1CCN(S(=O)(=O)Cc2ccccc2)C1.
What is the InChIKey of 3-(1-benzylsulfonylpyrrolidin-3-yl)-2-propylimidazo[4,5-b]pyridine?
The InChIKey is PTOBJTQMCPLLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-2-7-19-22-18-10-6-12-21-20(18)24(19)17-11-13-23(14-17)27(25,26)15-16-8-4-3-5-9-16/h3-6,8-10,12,17H,2,7,11,13-15H2,1H3.
What are the key properties of 3-(1-benzylsulfonylpyrrolidin-3-yl)-2-propylimidazo[4,5-b]pyridine?
3-(1-benzylsulfonylpyrrolidin-3-yl)-2-propylimidazo[4,5-b]pyridine has a molecular weight of 384.51 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylsulfonylpyrrolidin-3-yl)-2-propylimidazo[4,5-b]pyridine is sourced from PubChem (CID 53186955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).