ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate

C23H23FN4O2S — CID 58207974

IUPACethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cnc(N[C@H](C)CC)s3)cc(-c3ccccc3F)c2n1
InChIInChI=1S/C23H23FN4O2S/c1-4-14(3)26-23-25-11-20(31-23)15-10-17(16-8-6-7-9-18(16)24)21-27-19(13-28(21)12-15)22(29)30-5-2/h6-14H,4-5H2,1-3H3,(H,25,26)/t14-/m1/s1
InChIKeyNEBMYWXBNQAPMK-CQSZACIVSA-N
MW438.53 g/mol
LogP5.65
Rot. Bonds7

About ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 58207974) has the molecular formula C23H23FN4O2S and a molecular weight of 438.53 g/mol. Its IUPAC name is ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID58207974
Molecular FormulaC23H23FN4O2S
Molecular Weight438.53 g/mol
Exact Mass438.15
IUPAC Nameethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cnc(N[C@H](C)CC)s3)cc(-c3ccccc3F)c2n1
InChIInChI=1S/C23H23FN4O2S/c1-4-14(3)26-23-25-11-20(31-23)15-10-17(16-8-6-7-9-18(16)24)21-27-19(13-28(21)12-15)22(29)30-5-2/h6-14H,4-5H2,1-3H3,(H,25,26)/t14-/m1/s1
InChIKeyNEBMYWXBNQAPMK-CQSZACIVSA-N
XLogP5.65
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate (CID 58207974) is ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(-c3cnc(N[C@H](C)CC)s3)cc(-c3ccccc3F)c2n1.
What is the InChIKey of ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is NEBMYWXBNQAPMK-CQSZACIVSA-N. The full InChI is InChI=1S/C23H23FN4O2S/c1-4-14(3)26-23-25-11-20(31-23)15-10-17(16-8-6-7-9-18(16)24)21-27-19(13-28(21)12-15)22(29)30-5-2/h6-14H,4-5H2,1-3H3,(H,25,26)/t14-/m1/s1.
What are the key properties of ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 438.53 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 58207974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).