3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine

C19H22N4O2S — CID 91904206

IUPAC3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2cccnc2n1CC1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H22N4O2S/c1-15-21-18-10-5-11-20-19(18)23(15)14-16-7-6-12-22(13-16)26(24,25)17-8-3-2-4-9-17/h2-5,8-11,16H,6-7,12-14H2,1H3
InChIKeyFJVPOJGLIKIEOL-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.84
Rot. Bonds4

About 3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine

3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine (PubChem CID 91904206) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
PubChem CID91904206
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2cccnc2n1CC1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H22N4O2S/c1-15-21-18-10-5-11-20-19(18)23(15)14-16-7-6-12-22(13-16)26(24,25)17-8-3-2-4-9-17/h2-5,8-11,16H,6-7,12-14H2,1H3
InChIKeyFJVPOJGLIKIEOL-UHFFFAOYSA-N
XLogP2.84
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine (CID 91904206) is 3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine is Cc1nc2cccnc2n1CC1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
The InChIKey is FJVPOJGLIKIEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-15-21-18-10-5-11-20-19(18)23(15)14-16-7-6-12-22(13-16)26(24,25)17-8-3-2-4-9-17/h2-5,8-11,16H,6-7,12-14H2,1H3.
What are the key properties of 3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine has a molecular weight of 370.48 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 91904206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).