5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide

C21H24N4O3S — CID 55332921

IUPAC5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)cn12
InChIInChI=1S/C21H24N4O3S/c1-15-5-4-12-24(13-15)29(27,28)18-10-8-17(9-11-18)22-21(26)19-14-25-16(2)6-3-7-20(25)23-19/h3,6-11,14-15H,4-5,12-13H2,1-2H3,(H,22,26)
InChIKeyYQHIYYTXOWBAFD-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.32
Rot. Bonds4

About 5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide

5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 55332921) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID55332921
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)cn12
InChIInChI=1S/C21H24N4O3S/c1-15-5-4-12-24(13-15)29(27,28)18-10-8-17(9-11-18)22-21(26)19-14-25-16(2)6-3-7-20(25)23-19/h3,6-11,14-15H,4-5,12-13H2,1-2H3,(H,22,26)
InChIKeyYQHIYYTXOWBAFD-UHFFFAOYSA-N
XLogP3.32
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 41170489
5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 55395152
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide
CID 42998438
2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311381
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 55382516
5-(4-methylphenyl)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 35043688
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 41417441
methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate
CID 43049761
4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372
2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-nitrobenzamide
CID 17311394

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 55332921) is 5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide is Cc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)cn12.
What is the InChIKey of 5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is YQHIYYTXOWBAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-15-5-4-12-24(13-15)29(27,28)18-10-8-17(9-11-18)22-21(26)19-14-25-16(2)6-3-7-20(25)23-19/h3,6-11,14-15H,4-5,12-13H2,1-2H3,(H,22,26).
What are the key properties of 5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide?
5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 55332921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).