2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]propan-2-ol

C27H20F2N2O2 — CID 11597409

IUPAC2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]propan-2-ol
SMILESCC(C)(O)c1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1
InChIInChI=1S/C27H20F2N2O2/c1-27(2,32)22-15-21-23(16-3-7-19(28)8-4-16)24(17-11-13-30-14-12-17)25(31-26(21)33-22)18-5-9-20(29)10-6-18/h3-15,32H,1-2H3
InChIKeyNWAKMVGQZPKXNM-UHFFFAOYSA-N
MW442.47 g/mol
LogP6.73
Rot. Bonds4

About 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]propan-2-ol

2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]propan-2-ol (PubChem CID 11597409) has the molecular formula C27H20F2N2O2 and a molecular weight of 442.47 g/mol. Its IUPAC name is 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]propan-2-ol
PubChem CID11597409
Molecular FormulaC27H20F2N2O2
Molecular Weight442.47 g/mol
Exact Mass442.15
IUPAC Name2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]propan-2-ol
SMILESCC(C)(O)c1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1
InChIInChI=1S/C27H20F2N2O2/c1-27(2,32)22-15-21-23(16-3-7-19(28)8-4-16)24(17-11-13-30-14-12-17)25(31-26(21)33-22)18-5-9-20(29)10-6-18/h3-15,32H,1-2H3
InChIKeyNWAKMVGQZPKXNM-UHFFFAOYSA-N
XLogP6.73
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]propan-2-ol?
The IUPAC name of 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]propan-2-ol (CID 11597409) is 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]propan-2-ol?
The canonical SMILES for 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]propan-2-ol is CC(C)(O)c1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1.
What is the InChIKey of 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]propan-2-ol?
The InChIKey is NWAKMVGQZPKXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N2O2/c1-27(2,32)22-15-21-23(16-3-7-19(28)8-4-16)24(17-11-13-30-14-12-17)25(31-26(21)33-22)18-5-9-20(29)10-6-18/h3-15,32H,1-2H3.
What are the key properties of 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]propan-2-ol?
2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]propan-2-ol has a molecular weight of 442.47 g/mol, XLogP of 6.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]propan-2-ol is sourced from PubChem (CID 11597409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).