4,6-bis(4-fluorophenyl)-N-(2-methoxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide

C28H21F2N3O3 — CID 11583918

IUPAC4,6-bis(4-fluorophenyl)-N-(2-methoxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1
InChIInChI=1S/C28H21F2N3O3/c1-35-15-14-32-27(34)23-16-22-24(17-2-6-20(29)7-3-17)25(18-10-12-31-13-11-18)26(33-28(22)36-23)19-4-8-21(30)9-5-19/h2-13,16H,14-15H2,1H3,(H,32,34)
InChIKeyMXIAHQVKPVRMGT-UHFFFAOYSA-N
MW485.49 g/mol
LogP5.88
Rot. Bonds7

About 4,6-bis(4-fluorophenyl)-N-(2-methoxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide

4,6-bis(4-fluorophenyl)-N-(2-methoxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide (PubChem CID 11583918) has the molecular formula C28H21F2N3O3 and a molecular weight of 485.49 g/mol. Its IUPAC name is 4,6-bis(4-fluorophenyl)-N-(2-methoxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4,6-bis(4-fluorophenyl)-N-(2-methoxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide
PubChem CID11583918
Molecular FormulaC28H21F2N3O3
Molecular Weight485.49 g/mol
Exact Mass485.16
IUPAC Name4,6-bis(4-fluorophenyl)-N-(2-methoxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1
InChIInChI=1S/C28H21F2N3O3/c1-35-15-14-32-27(34)23-16-22-24(17-2-6-20(29)7-3-17)25(18-10-12-31-13-11-18)26(33-28(22)36-23)19-4-8-21(30)9-5-19/h2-13,16H,14-15H2,1H3,(H,32,34)
InChIKeyMXIAHQVKPVRMGT-UHFFFAOYSA-N
XLogP5.88
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.49
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-fluorophenyl)-N-(2-methoxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4,6-bis(4-fluorophenyl)-N-(2-methoxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide (CID 11583918) is 4,6-bis(4-fluorophenyl)-N-(2-methoxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4,6-bis(4-fluorophenyl)-N-(2-methoxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4,6-bis(4-fluorophenyl)-N-(2-methoxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide is COCCNC(=O)c1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1.
What is the InChIKey of 4,6-bis(4-fluorophenyl)-N-(2-methoxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide?
The InChIKey is MXIAHQVKPVRMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F2N3O3/c1-35-15-14-32-27(34)23-16-22-24(17-2-6-20(29)7-3-17)25(18-10-12-31-13-11-18)26(33-28(22)36-23)19-4-8-21(30)9-5-19/h2-13,16H,14-15H2,1H3,(H,32,34).
What are the key properties of 4,6-bis(4-fluorophenyl)-N-(2-methoxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide?
4,6-bis(4-fluorophenyl)-N-(2-methoxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide has a molecular weight of 485.49 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-fluorophenyl)-N-(2-methoxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 11583918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).