2-[[3-(2,6-dimethylanilino)-2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid

C23H22N4O3S — CID 23936290

IUPAC2-[[3-(2,6-dimethylanilino)-2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid
SMILESCc1cccc(C)c1Nc1c(-c2cccs2)nc2c(C(=O)NC(C)C(=O)O)cccn12
InChIInChI=1S/C23H22N4O3S/c1-13-7-4-8-14(2)18(13)25-21-19(17-10-6-12-31-17)26-20-16(9-5-11-27(20)21)22(28)24-15(3)23(29)30/h4-12,15,25H,1-3H3,(H,24,28)(H,29,30)
InChIKeyVOADSSRWTDAWKP-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.63
Rot. Bonds6

About 2-[[3-(2,6-dimethylanilino)-2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid

2-[[3-(2,6-dimethylanilino)-2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid (PubChem CID 23936290) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[[3-(2,6-dimethylanilino)-2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(2,6-dimethylanilino)-2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid
PubChem CID23936290
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name2-[[3-(2,6-dimethylanilino)-2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid
SMILESCc1cccc(C)c1Nc1c(-c2cccs2)nc2c(C(=O)NC(C)C(=O)O)cccn12
InChIInChI=1S/C23H22N4O3S/c1-13-7-4-8-14(2)18(13)25-21-19(17-10-6-12-31-17)26-20-16(9-5-11-27(20)21)22(28)24-15(3)23(29)30/h4-12,15,25H,1-3H3,(H,24,28)(H,29,30)
InChIKeyVOADSSRWTDAWKP-UHFFFAOYSA-N
XLogP4.63
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,6-dimethylanilino)-2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[3-(2,6-dimethylanilino)-2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid (CID 23936290) is 2-[[3-(2,6-dimethylanilino)-2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[3-(2,6-dimethylanilino)-2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[3-(2,6-dimethylanilino)-2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid is Cc1cccc(C)c1Nc1c(-c2cccs2)nc2c(C(=O)NC(C)C(=O)O)cccn12.
What is the InChIKey of 2-[[3-(2,6-dimethylanilino)-2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid?
The InChIKey is VOADSSRWTDAWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-13-7-4-8-14(2)18(13)25-21-19(17-10-6-12-31-17)26-20-16(9-5-11-27(20)21)22(28)24-15(3)23(29)30/h4-12,15,25H,1-3H3,(H,24,28)(H,29,30).
What are the key properties of 2-[[3-(2,6-dimethylanilino)-2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid?
2-[[3-(2,6-dimethylanilino)-2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid has a molecular weight of 434.52 g/mol, XLogP of 4.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,6-dimethylanilino)-2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid is sourced from PubChem (CID 23936290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).