[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamic acid

C20H18FN3O3S — CID 66649055

About [3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamic acid

[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamic acid (PubChem CID 66649055) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is [3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamic acid.

Molecular Properties

• Compound Name: [3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamic acid
• PubChem CID: 66649055
• Molecular Formula: C20H18FN3O3S
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.11
• IUPAC Name: [3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamic acid
• SMILES: CN1CC=C(c2cc3nccc(Oc4ccc(NC(=O)O)cc4F)c3s2)CC1
• InChI: InChI=1S/C20H18FN3O3S/c1-24-8-5-12(6-9-24)18-11-15-19(28-18)17(4-7-22-15)27-16-3-2-13(10-14(16)21)23-20(25)26/h2-5,7,10-11,23H,6,8-9H2,1H3,(H,25,26)
• InChIKey: GVCVLUZMAZAMLH-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 74.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamic acid?

The IUPAC name of [3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamic acid (CID 66649055) is [3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamic acid.

What is the SMILES notation for [3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamic acid?

The canonical SMILES for [3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamic acid is CN1CC=C(c2cc3nccc(Oc4ccc(NC(=O)O)cc4F)c3s2)CC1.

What is the InChIKey of [3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamic acid?

The InChIKey is GVCVLUZMAZAMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-24-8-5-12(6-9-24)18-11-15-19(28-18)17(4-7-22-15)27-16-3-2-13(10-14(16)21)23-20(25)26/h2-5,7,10-11,23H,6,8-9H2,1H3,(H,25,26).

What are the key properties of [3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamic acid?

[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamic acid has a molecular weight of 399.45 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamic acid is sourced from PubChem (CID 66649055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).