2-[5,7-bis(4-fluorophenyl)-6-pyridin-4-ylthieno[3,2-b]pyridin-3-yl]propan-2-ol

C27H20F2N2OS — CID 11583411

IUPAC2-[5,7-bis(4-fluorophenyl)-6-pyridin-4-ylthieno[3,2-b]pyridin-3-yl]propan-2-ol
SMILESCC(C)(O)c1csc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C27H20F2N2OS/c1-27(2,32)21-15-33-26-23(16-3-7-19(28)8-4-16)22(17-11-13-30-14-12-17)24(31-25(21)26)18-5-9-20(29)10-6-18/h3-15,32H,1-2H3
InChIKeyKOXWVDWYIDCYNB-UHFFFAOYSA-N
MW458.53 g/mol
LogP7.20
Rot. Bonds4

About 2-[5,7-bis(4-fluorophenyl)-6-pyridin-4-ylthieno[3,2-b]pyridin-3-yl]propan-2-ol

2-[5,7-bis(4-fluorophenyl)-6-pyridin-4-ylthieno[3,2-b]pyridin-3-yl]propan-2-ol (PubChem CID 11583411) has the molecular formula C27H20F2N2OS and a molecular weight of 458.53 g/mol. Its IUPAC name is 2-[5,7-bis(4-fluorophenyl)-6-pyridin-4-ylthieno[3,2-b]pyridin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5,7-bis(4-fluorophenyl)-6-pyridin-4-ylthieno[3,2-b]pyridin-3-yl]propan-2-ol
PubChem CID11583411
Molecular FormulaC27H20F2N2OS
Molecular Weight458.53 g/mol
Exact Mass458.13
IUPAC Name2-[5,7-bis(4-fluorophenyl)-6-pyridin-4-ylthieno[3,2-b]pyridin-3-yl]propan-2-ol
SMILESCC(C)(O)c1csc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C27H20F2N2OS/c1-27(2,32)21-15-33-26-23(16-3-7-19(28)8-4-16)22(17-11-13-30-14-12-17)24(31-25(21)26)18-5-9-20(29)10-6-18/h3-15,32H,1-2H3
InChIKeyKOXWVDWYIDCYNB-UHFFFAOYSA-N
XLogP7.20
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.53
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5,7-bis(4-fluorophenyl)-6-pyridin-4-ylthieno[3,2-b]pyridin-3-yl]propan-2-ol?
The IUPAC name of 2-[5,7-bis(4-fluorophenyl)-6-pyridin-4-ylthieno[3,2-b]pyridin-3-yl]propan-2-ol (CID 11583411) is 2-[5,7-bis(4-fluorophenyl)-6-pyridin-4-ylthieno[3,2-b]pyridin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[5,7-bis(4-fluorophenyl)-6-pyridin-4-ylthieno[3,2-b]pyridin-3-yl]propan-2-ol?
The canonical SMILES for 2-[5,7-bis(4-fluorophenyl)-6-pyridin-4-ylthieno[3,2-b]pyridin-3-yl]propan-2-ol is CC(C)(O)c1csc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc12.
What is the InChIKey of 2-[5,7-bis(4-fluorophenyl)-6-pyridin-4-ylthieno[3,2-b]pyridin-3-yl]propan-2-ol?
The InChIKey is KOXWVDWYIDCYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N2OS/c1-27(2,32)21-15-33-26-23(16-3-7-19(28)8-4-16)22(17-11-13-30-14-12-17)24(31-25(21)26)18-5-9-20(29)10-6-18/h3-15,32H,1-2H3.
What are the key properties of 2-[5,7-bis(4-fluorophenyl)-6-pyridin-4-ylthieno[3,2-b]pyridin-3-yl]propan-2-ol?
2-[5,7-bis(4-fluorophenyl)-6-pyridin-4-ylthieno[3,2-b]pyridin-3-yl]propan-2-ol has a molecular weight of 458.53 g/mol, XLogP of 7.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-bis(4-fluorophenyl)-6-pyridin-4-ylthieno[3,2-b]pyridin-3-yl]propan-2-ol is sourced from PubChem (CID 11583411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).