[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate

C18H16N4O4S — CID 7226219

IUPAC[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESNC(=O)c1c(NC(=O)COC(=O)c2cn3ccccc3n2)sc2c1CCC2
InChIInChI=1S/C18H16N4O4S/c19-16(24)15-10-4-3-5-12(10)27-17(15)21-14(23)9-26-18(25)11-8-22-7-2-1-6-13(22)20-11/h1-2,6-8H,3-5,9H2,(H2,19,24)(H,21,23)
InChIKeyPDVLBWSDNLAUAX-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.78
Rot. Bonds5

About [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate

[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 7226219) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID7226219
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC Name[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESNC(=O)c1c(NC(=O)COC(=O)c2cn3ccccc3n2)sc2c1CCC2
InChIInChI=1S/C18H16N4O4S/c19-16(24)15-10-4-3-5-12(10)27-17(15)21-14(23)9-26-18(25)11-8-22-7-2-1-6-13(22)20-11/h1-2,6-8H,3-5,9H2,(H2,19,24)(H,21,23)
InChIKeyPDVLBWSDNLAUAX-UHFFFAOYSA-N
XLogP1.78
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Related Compounds

[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 3898620
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-benzoylbenzoate
CID 4555560
[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-chlorobenzoate
CID 7775686
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate
CID 2627188
2-[(2-phenoxyacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 732279
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3,4-dichlorobenzoate
CID 5109707
[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 46648767
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 3985067
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] quinoline-8-carboxylate
CID 9061806
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-(2-phenylethyl)benzoate
CID 4560219
[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-phenylacetate
CID 2411733
[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8524858

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate (CID 7226219) is [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate is NC(=O)c1c(NC(=O)COC(=O)c2cn3ccccc3n2)sc2c1CCC2.
What is the InChIKey of [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is PDVLBWSDNLAUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c19-16(24)15-10-4-3-5-12(10)27-17(15)21-14(23)9-26-18(25)11-8-22-7-2-1-6-13(22)20-11/h1-2,6-8H,3-5,9H2,(H2,19,24)(H,21,23).
What are the key properties of [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 384.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 7226219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).