2-methyl-2-[4-[(6-thiophen-3-ylimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]propanoic acid

C22H19N3O3S — CID 53321232

IUPAC2-methyl-2-[4-[(6-thiophen-3-ylimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(C(=O)Nc2cn3cc(-c4ccsc4)ccc3n2)cc1
InChIInChI=1S/C22H19N3O3S/c1-22(2,21(27)28)17-6-3-14(4-7-17)20(26)24-18-12-25-11-15(5-8-19(25)23-18)16-9-10-29-13-16/h3-13H,1-2H3,(H,24,26)(H,27,28)
InChIKeyUYPYPLRWAZMPFC-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.68
Rot. Bonds5

About 2-methyl-2-[4-[(6-thiophen-3-ylimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]propanoic acid

2-methyl-2-[4-[(6-thiophen-3-ylimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]propanoic acid (PubChem CID 53321232) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-methyl-2-[4-[(6-thiophen-3-ylimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[(6-thiophen-3-ylimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]propanoic acid
PubChem CID53321232
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name2-methyl-2-[4-[(6-thiophen-3-ylimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(C(=O)Nc2cn3cc(-c4ccsc4)ccc3n2)cc1
InChIInChI=1S/C22H19N3O3S/c1-22(2,21(27)28)17-6-3-14(4-7-17)20(26)24-18-12-25-11-15(5-8-19(25)23-18)16-9-10-29-13-16/h3-13H,1-2H3,(H,24,26)(H,27,28)
InChIKeyUYPYPLRWAZMPFC-UHFFFAOYSA-N
XLogP4.68
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate
CID 59175639
N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[(1Z)-1-hydrazinyl-1-hydrazinylidene-2-methylpropan-2-yl]benzamide
CID 143620247
N-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide
CID 142682988
4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide
CID 59175307
N-(6-iodoimidazo[1,2-a]pyridin-2-yl)-4-methylsulfonylbenzamide
CID 68661287
N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide
CID 59175341
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-4-fluorobenzamide
CID 59252002
4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-chloroimidazo[1,2-a]pyridin-2-yl)benzamide
CID 68661308
4-tert-butyl-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide;methanesulfonic acid
CID 86638590
4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide
CID 59175581
4-tert-butyl-N-[6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]benzamide;2,2,2-trifluoroacetic acid
CID 157242131
4-[2-(methoxycarbonylamino)imidazo[1,2-a]pyridin-6-yl]sulfanylbenzoic acid
CID 54095050

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(6-thiophen-3-ylimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[(6-thiophen-3-ylimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]propanoic acid (CID 53321232) is 2-methyl-2-[4-[(6-thiophen-3-ylimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[(6-thiophen-3-ylimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[(6-thiophen-3-ylimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]propanoic acid is CC(C)(C(=O)O)c1ccc(C(=O)Nc2cn3cc(-c4ccsc4)ccc3n2)cc1.
What is the InChIKey of 2-methyl-2-[4-[(6-thiophen-3-ylimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]propanoic acid?
The InChIKey is UYPYPLRWAZMPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-22(2,21(27)28)17-6-3-14(4-7-17)20(26)24-18-12-25-11-15(5-8-19(25)23-18)16-9-10-29-13-16/h3-13H,1-2H3,(H,24,26)(H,27,28).
What are the key properties of 2-methyl-2-[4-[(6-thiophen-3-ylimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]propanoic acid?
2-methyl-2-[4-[(6-thiophen-3-ylimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]propanoic acid has a molecular weight of 405.48 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(6-thiophen-3-ylimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]propanoic acid is sourced from PubChem (CID 53321232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).