7-methyl-2-(3-piperidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine

C19H21N3O2S — CID 4558691

IUPAC7-methyl-2-(3-piperidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccn2cc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)nc2c1
InChIInChI=1S/C19H21N3O2S/c1-15-8-11-21-14-18(20-19(21)12-15)16-6-5-7-17(13-16)25(23,24)22-9-3-2-4-10-22/h5-8,11-14H,2-4,9-10H2,1H3
InChIKeyMZRRAYXRKRUWGS-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.48
Rot. Bonds3

About 7-methyl-2-(3-piperidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine

7-methyl-2-(3-piperidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine (PubChem CID 4558691) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 7-methyl-2-(3-piperidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-methyl-2-(3-piperidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine
PubChem CID4558691
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name7-methyl-2-(3-piperidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccn2cc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)nc2c1
InChIInChI=1S/C19H21N3O2S/c1-15-8-11-21-14-18(20-19(21)12-15)16-6-5-7-17(13-16)25(23,24)22-9-3-2-4-10-22/h5-8,11-14H,2-4,9-10H2,1H3
InChIKeyMZRRAYXRKRUWGS-UHFFFAOYSA-N
XLogP3.48
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(3-piperidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 7-methyl-2-(3-piperidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine (CID 4558691) is 7-methyl-2-(3-piperidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-methyl-2-(3-piperidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 7-methyl-2-(3-piperidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine is Cc1ccn2cc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)nc2c1.
What is the InChIKey of 7-methyl-2-(3-piperidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is MZRRAYXRKRUWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-15-8-11-21-14-18(20-19(21)12-15)16-6-5-7-17(13-16)25(23,24)22-9-3-2-4-10-22/h5-8,11-14H,2-4,9-10H2,1H3.
What are the key properties of 7-methyl-2-(3-piperidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine?
7-methyl-2-(3-piperidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 355.46 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(3-piperidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 4558691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).