1-(1-benzothiophen-4-yloxy)-3-[4-(6-fluoronaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol

C26H24FNO2S — CID 73163953

About 1-(1-benzothiophen-4-yloxy)-3-[4-(6-fluoronaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol

1-(1-benzothiophen-4-yloxy)-3-[4-(6-fluoronaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol (PubChem CID 73163953) has the molecular formula C26H24FNO2S and a molecular weight of 433.55 g/mol. Its IUPAC name is 1-(1-benzothiophen-4-yloxy)-3-[4-(6-fluoronaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1-(1-benzothiophen-4-yloxy)-3-[4-(6-fluoronaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
• PubChem CID: 73163953
• Molecular Formula: C26H24FNO2S
• Molecular Weight: 433.55 g/mol
• Exact Mass: 433.15
• IUPAC Name: 1-(1-benzothiophen-4-yloxy)-3-[4-(6-fluoronaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
• SMILES: OC(COc1cccc2sccc12)CN1CC=C(c2ccc3cc(F)ccc3c2)CC1
• InChI: InChI=1S/C26H24FNO2S/c27-22-7-6-20-14-19(4-5-21(20)15-22)18-8-11-28(12-9-18)16-23(29)17-30-25-2-1-3-26-24(25)10-13-31-26/h1-8,10,13-15,23,29H,9,11-12,16-17H2
• InChIKey: BLXDQDRIFPYKKG-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 32.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.55
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-4-yloxy)-3-[4-(6-fluoronaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?

The IUPAC name of 1-(1-benzothiophen-4-yloxy)-3-[4-(6-fluoronaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol (CID 73163953) is 1-(1-benzothiophen-4-yloxy)-3-[4-(6-fluoronaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol.

What is the SMILES notation for 1-(1-benzothiophen-4-yloxy)-3-[4-(6-fluoronaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?

The canonical SMILES for 1-(1-benzothiophen-4-yloxy)-3-[4-(6-fluoronaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol is OC(COc1cccc2sccc12)CN1CC=C(c2ccc3cc(F)ccc3c2)CC1.

What is the InChIKey of 1-(1-benzothiophen-4-yloxy)-3-[4-(6-fluoronaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?

The InChIKey is BLXDQDRIFPYKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO2S/c27-22-7-6-20-14-19(4-5-21(20)15-22)18-8-11-28(12-9-18)16-23(29)17-30-25-2-1-3-26-24(25)10-13-31-26/h1-8,10,13-15,23,29H,9,11-12,16-17H2.

What are the key properties of 1-(1-benzothiophen-4-yloxy)-3-[4-(6-fluoronaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?

1-(1-benzothiophen-4-yloxy)-3-[4-(6-fluoronaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol has a molecular weight of 433.55 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzothiophen-4-yloxy)-3-[4-(6-fluoronaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol is sourced from PubChem (CID 73163953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).