ethyl 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylimidazo[4,5-b]pyridine-2-carboxylate

C27H20F2N4O2 — CID 11684234

IUPACethyl 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylimidazo[4,5-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2nc(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)c2n1C
InChIInChI=1S/C27H20F2N4O2/c1-3-35-27(34)26-32-25-24(33(26)2)22(16-4-8-19(28)9-5-16)21(17-12-14-30-15-13-17)23(31-25)18-6-10-20(29)11-7-18/h4-15H,3H2,1-2H3
InChIKeyWQYGPABSYNERIY-UHFFFAOYSA-N
MW470.48 g/mol
LogP5.82
Rot. Bonds5

About ethyl 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylimidazo[4,5-b]pyridine-2-carboxylate

ethyl 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylimidazo[4,5-b]pyridine-2-carboxylate (PubChem CID 11684234) has the molecular formula C27H20F2N4O2 and a molecular weight of 470.48 g/mol. Its IUPAC name is ethyl 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylimidazo[4,5-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylimidazo[4,5-b]pyridine-2-carboxylate
PubChem CID11684234
Molecular FormulaC27H20F2N4O2
Molecular Weight470.48 g/mol
Exact Mass470.16
IUPAC Nameethyl 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylimidazo[4,5-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2nc(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)c2n1C
InChIInChI=1S/C27H20F2N4O2/c1-3-35-27(34)26-32-25-24(33(26)2)22(16-4-8-19(28)9-5-16)21(17-12-14-30-15-13-17)23(31-25)18-6-10-20(29)11-7-18/h4-15H,3H2,1-2H3
InChIKeyWQYGPABSYNERIY-UHFFFAOYSA-N
XLogP5.82
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.48
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylimidazo[4,5-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylimidazo[4,5-b]pyridine-2-carboxylate (CID 11684234) is ethyl 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylimidazo[4,5-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylimidazo[4,5-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylimidazo[4,5-b]pyridine-2-carboxylate is CCOC(=O)c1nc2nc(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)c2n1C.
What is the InChIKey of ethyl 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylimidazo[4,5-b]pyridine-2-carboxylate?
The InChIKey is WQYGPABSYNERIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N4O2/c1-3-35-27(34)26-32-25-24(33(26)2)22(16-4-8-19(28)9-5-16)21(17-12-14-30-15-13-17)23(31-25)18-6-10-20(29)11-7-18/h4-15H,3H2,1-2H3.
What are the key properties of ethyl 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylimidazo[4,5-b]pyridine-2-carboxylate?
ethyl 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylimidazo[4,5-b]pyridine-2-carboxylate has a molecular weight of 470.48 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylimidazo[4,5-b]pyridine-2-carboxylate is sourced from PubChem (CID 11684234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).