ethyl 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate

C22H20F2N4O2S — CID 58207953

IUPACethyl 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cnc(NC(C)C)s3)cc(-c3ccc(F)cc3F)c2n1
InChIInChI=1S/C22H20F2N4O2S/c1-4-30-21(29)18-11-28-10-13(19-9-25-22(31-19)26-12(2)3)7-16(20(28)27-18)15-6-5-14(23)8-17(15)24/h5-12H,4H2,1-3H3,(H,25,26)
InChIKeyJKDOJPGMBBKBEW-UHFFFAOYSA-N
MW442.49 g/mol
LogP5.40
Rot. Bonds6

About ethyl 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate

ethyl 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 58207953) has the molecular formula C22H20F2N4O2S and a molecular weight of 442.49 g/mol. Its IUPAC name is ethyl 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID58207953
Molecular FormulaC22H20F2N4O2S
Molecular Weight442.49 g/mol
Exact Mass442.13
IUPAC Nameethyl 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cnc(NC(C)C)s3)cc(-c3ccc(F)cc3F)c2n1
InChIInChI=1S/C22H20F2N4O2S/c1-4-30-21(29)18-11-28-10-13(19-9-25-22(31-19)26-12(2)3)7-16(20(28)27-18)15-6-5-14(23)8-17(15)24/h5-12H,4H2,1-3H3,(H,25,26)
InChIKeyJKDOJPGMBBKBEW-UHFFFAOYSA-N
XLogP5.40
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 90420332
CID 90420332
CID 90420388
CID 90420388
CID 90446855
CID 90446855
CID 122510556
CID 122510556
CID 90420637
CID 90420637
CID 14013285
CID 14013285
CID 25210712
CID 25210712
CID 44539611
CID 44539611
CID 44539710
CID 44539710
CID 44540481
CID 44540481
CID 44540577
CID 44540577
CID 44553271
CID 44553271

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate (CID 58207953) is ethyl 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(-c3cnc(NC(C)C)s3)cc(-c3ccc(F)cc3F)c2n1.
What is the InChIKey of ethyl 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is JKDOJPGMBBKBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2S/c1-4-30-21(29)18-11-28-10-13(19-9-25-22(31-19)26-12(2)3)7-16(20(28)27-18)15-6-5-14(23)8-17(15)24/h5-12H,4H2,1-3H3,(H,25,26).
What are the key properties of ethyl 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 442.49 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 58207953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).