ethyl 2-[(7-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate

C20H16ClN3O3S2 — CID 84567650

IUPACethyl 2-[(7-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1c(C)nc2cc(Cl)ccn12
InChIInChI=1S/C20H16ClN3O3S2/c1-3-27-20(26)16-13(14-5-4-8-28-14)10-29-19(16)23-18(25)17-11(2)22-15-9-12(21)6-7-24(15)17/h4-10H,3H2,1-2H3,(H,23,25)
InChIKeyRRLQKYCTYOXSHW-UHFFFAOYSA-N
MW445.95 g/mol
LogP5.52
Rot. Bonds5

About ethyl 2-[(7-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate

ethyl 2-[(7-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate (PubChem CID 84567650) has the molecular formula C20H16ClN3O3S2 and a molecular weight of 445.95 g/mol. Its IUPAC name is ethyl 2-[(7-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(7-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
PubChem CID84567650
Molecular FormulaC20H16ClN3O3S2
Molecular Weight445.95 g/mol
Exact Mass445.03
IUPAC Nameethyl 2-[(7-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1c(C)nc2cc(Cl)ccn12
InChIInChI=1S/C20H16ClN3O3S2/c1-3-27-20(26)16-13(14-5-4-8-28-14)10-29-19(16)23-18(25)17-11(2)22-15-9-12(21)6-7-24(15)17/h4-10H,3H2,1-2H3,(H,23,25)
InChIKeyRRLQKYCTYOXSHW-UHFFFAOYSA-N
XLogP5.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(1,3-thiazole-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate
CID 84560643
ethyl 4-thiophen-2-yl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
CID 895440
7-chloro-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 82530149
ethyl 2-(4-aminobutanoylamino)-4-thiophen-2-ylthiophene-3-carboxylate
CID 82034031
ethyl 4-phenyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 17253080
ethyl 2-[(2-oxochromene-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 2927308
ethyl 4-(4-chlorophenyl)-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
CID 4227698
ethyl 2-[[2-[2-(thiophene-2-carbonylamino)propanoyloxy]acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 55484502
[2-[(3-ethoxycarbonyl-4-thiophen-2-ylthiophen-2-yl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 55470446
ethyl 2-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 167902497
ethyl 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 2513706
ethyl 2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 112766967

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(7-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(7-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate (CID 84567650) is ethyl 2-[(7-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(7-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(7-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate is CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1c(C)nc2cc(Cl)ccn12.
What is the InChIKey of ethyl 2-[(7-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate?
The InChIKey is RRLQKYCTYOXSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3S2/c1-3-27-20(26)16-13(14-5-4-8-28-14)10-29-19(16)23-18(25)17-11(2)22-15-9-12(21)6-7-24(15)17/h4-10H,3H2,1-2H3,(H,23,25).
What are the key properties of ethyl 2-[(7-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate?
ethyl 2-[(7-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate has a molecular weight of 445.95 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(7-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 84567650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).