4-[2-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoro-N-methylaniline;ethane

C24H24FN3O3S — CID 143768749

About 4-[2-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoro-N-methylaniline;ethane

4-[2-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoro-N-methylaniline;ethane (PubChem CID 143768749) has the molecular formula C24H24FN3O3S and a molecular weight of 453.54 g/mol. Its IUPAC name is 4-[2-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoro-N-methylaniline;ethane.

Molecular Properties

• Compound Name: 4-[2-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoro-N-methylaniline;ethane
• PubChem CID: 143768749
• Molecular Formula: C24H24FN3O3S
• Molecular Weight: 453.54 g/mol
• Exact Mass: 453.15
• IUPAC Name: 4-[2-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoro-N-methylaniline;ethane
• SMILES: CC.CNc1ccc(Oc2ccnc3cc(-c4ccc(C5OCCO5)cn4)sc23)c(F)c1
• InChI: InChI=1S/C22H18FN3O3S.C2H6/c1-24-14-3-5-18(15(23)10-14)29-19-6-7-25-17-11-20(30-21(17)19)16-4-2-13(12-26-16)22-27-8-9-28-22;1-2/h2-7,10-12,22,24H,8-9H2,1H3;1-2H3
• InChIKey: MLMCGTBDDISUOF-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 65.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.54
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoro-N-methylaniline;ethane?

The IUPAC name of 4-[2-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoro-N-methylaniline;ethane (CID 143768749) is 4-[2-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoro-N-methylaniline;ethane.

What is the SMILES notation for 4-[2-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoro-N-methylaniline;ethane?

The canonical SMILES for 4-[2-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoro-N-methylaniline;ethane is CC.CNc1ccc(Oc2ccnc3cc(-c4ccc(C5OCCO5)cn4)sc23)c(F)c1.

What is the InChIKey of 4-[2-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoro-N-methylaniline;ethane?

The InChIKey is MLMCGTBDDISUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3S.C2H6/c1-24-14-3-5-18(15(23)10-14)29-19-6-7-25-17-11-20(30-21(17)19)16-4-2-13(12-26-16)22-27-8-9-28-22;1-2/h2-7,10-12,22,24H,8-9H2,1H3;1-2H3.

What are the key properties of 4-[2-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoro-N-methylaniline;ethane?

4-[2-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoro-N-methylaniline;ethane has a molecular weight of 453.54 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoro-N-methylaniline;ethane is sourced from PubChem (CID 143768749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).