ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate

C23H22ClN3O2S — CID 58523976

IUPACethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cnc(CC(C)C)s3)cc(-c3ccccc3Cl)c2n1
InChIInChI=1S/C23H22ClN3O2S/c1-4-29-23(28)19-13-27-12-15(20-11-25-21(30-20)9-14(2)3)10-17(22(27)26-19)16-7-5-6-8-18(16)24/h5-8,10-14H,4,9H2,1-3H3
InChIKeyCMWINJFSJFJKPX-UHFFFAOYSA-N
MW439.97 g/mol
LogP6.15
Rot. Bonds6

About ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate

ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 58523976) has the molecular formula C23H22ClN3O2S and a molecular weight of 439.97 g/mol. Its IUPAC name is ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID58523976
Molecular FormulaC23H22ClN3O2S
Molecular Weight439.97 g/mol
Exact Mass439.11
IUPAC Nameethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cnc(CC(C)C)s3)cc(-c3ccccc3Cl)c2n1
InChIInChI=1S/C23H22ClN3O2S/c1-4-29-23(28)19-13-27-12-15(20-11-25-21(30-20)9-14(2)3)10-17(22(27)26-19)16-7-5-6-8-18(16)24/h5-8,10-14H,4,9H2,1-3H3
InChIKeyCMWINJFSJFJKPX-UHFFFAOYSA-N
XLogP6.15
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.97
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate (CID 58523976) is ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(-c3cnc(CC(C)C)s3)cc(-c3ccccc3Cl)c2n1.
What is the InChIKey of ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is CMWINJFSJFJKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2S/c1-4-29-23(28)19-13-27-12-15(20-11-25-21(30-20)9-14(2)3)10-17(22(27)26-19)16-7-5-6-8-18(16)24/h5-8,10-14H,4,9H2,1-3H3.
What are the key properties of ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 439.97 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(2-chlorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 58523976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).