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

C27H19F2N3O3 — CID 11583654

IUPAC4,6-bis(4-fluorophenyl)-N-(2-hydroxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide
SMILESO=C(NCCO)c1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1
InChIInChI=1S/C27H19F2N3O3/c28-19-5-1-16(2-6-19)23-21-15-22(26(34)31-13-14-33)35-27(21)32-25(18-3-7-20(29)8-4-18)24(23)17-9-11-30-12-10-17/h1-12,15,33H,13-14H2,(H,31,34)
InChIKeyXSZRWNFHMCJRIF-UHFFFAOYSA-N
MW471.46 g/mol
LogP5.22
Rot. Bonds6

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

4,6-bis(4-fluorophenyl)-N-(2-hydroxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide (PubChem CID 11583654) has the molecular formula C27H19F2N3O3 and a molecular weight of 471.46 g/mol. Its IUPAC name is 4,6-bis(4-fluorophenyl)-N-(2-hydroxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4,6-bis(4-fluorophenyl)-N-(2-hydroxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide
PubChem CID11583654
Molecular FormulaC27H19F2N3O3
Molecular Weight471.46 g/mol
Exact Mass471.14
IUPAC Name4,6-bis(4-fluorophenyl)-N-(2-hydroxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide
SMILESO=C(NCCO)c1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1
InChIInChI=1S/C27H19F2N3O3/c28-19-5-1-16(2-6-19)23-21-15-22(26(34)31-13-14-33)35-27(21)32-25(18-3-7-20(29)8-4-18)24(23)17-9-11-30-12-10-17/h1-12,15,33H,13-14H2,(H,31,34)
InChIKeyXSZRWNFHMCJRIF-UHFFFAOYSA-N
XLogP5.22
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.46
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-fluorophenyl)-N-(2-hydroxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4,6-bis(4-fluorophenyl)-N-(2-hydroxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide (CID 11583654) is 4,6-bis(4-fluorophenyl)-N-(2-hydroxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4,6-bis(4-fluorophenyl)-N-(2-hydroxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4,6-bis(4-fluorophenyl)-N-(2-hydroxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide is O=C(NCCO)c1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1.
What is the InChIKey of 4,6-bis(4-fluorophenyl)-N-(2-hydroxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide?
The InChIKey is XSZRWNFHMCJRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F2N3O3/c28-19-5-1-16(2-6-19)23-21-15-22(26(34)31-13-14-33)35-27(21)32-25(18-3-7-20(29)8-4-18)24(23)17-9-11-30-12-10-17/h1-12,15,33H,13-14H2,(H,31,34).
What are the key properties of 4,6-bis(4-fluorophenyl)-N-(2-hydroxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide?
4,6-bis(4-fluorophenyl)-N-(2-hydroxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide has a molecular weight of 471.46 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-fluorophenyl)-N-(2-hydroxyethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 11583654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).