5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

C20H22N4O4S — CID 9267731

IUPAC5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cn12
InChIInChI=1S/C20H22N4O4S/c1-15-3-2-4-19-22-18(14-24(15)19)20(25)21-13-16-5-7-17(8-6-16)29(26,27)23-9-11-28-12-10-23/h2-8,14H,9-13H2,1H3,(H,21,25)
InChIKeyQGINHDJINMJJHY-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.59
Rot. Bonds5

About 5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 9267731) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID9267731
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cn12
InChIInChI=1S/C20H22N4O4S/c1-15-3-2-4-19-22-18(14-24(15)19)20(25)21-13-16-5-7-17(8-6-16)29(26,27)23-9-11-28-12-10-23/h2-8,14H,9-13H2,1H3,(H,21,25)
InChIKeyQGINHDJINMJJHY-UHFFFAOYSA-N
XLogP1.59
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 9267731) is 5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide is Cc1cccc2nc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cn12.
What is the InChIKey of 5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is QGINHDJINMJJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-15-3-2-4-19-22-18(14-24(15)19)20(25)21-13-16-5-7-17(8-6-16)29(26,27)23-9-11-28-12-10-23/h2-8,14H,9-13H2,1H3,(H,21,25).
What are the key properties of 5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 9267731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).