1-[3-fluoro-4-[2-[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(oxetan-3-yl)urea

C26H22FN5O5S — CID 71548211

About 1-[3-fluoro-4-[2-[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(oxetan-3-yl)urea

1-[3-fluoro-4-[2-[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(oxetan-3-yl)urea (PubChem CID 71548211) has the molecular formula C26H22FN5O5S and a molecular weight of 535.56 g/mol. Its IUPAC name is 1-[3-fluoro-4-[2-[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(oxetan-3-yl)urea.

Molecular Properties

• Compound Name: 1-[3-fluoro-4-[2-[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(oxetan-3-yl)urea
• PubChem CID: 71548211
• Molecular Formula: C26H22FN5O5S
• Molecular Weight: 535.56 g/mol
• Exact Mass: 535.13
• IUPAC Name: 1-[3-fluoro-4-[2-[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(oxetan-3-yl)urea
• SMILES: O=C(Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOC5=O)cn4)sc23)c(F)c1)NC1COC1
• InChI: InChI=1S/C26H22FN5O5S/c27-18-9-16(30-25(33)31-17-13-35-14-17)2-4-21(18)37-22-5-6-28-20-10-23(38-24(20)22)19-3-1-15(11-29-19)12-32-7-8-36-26(32)34/h1-6,9-11,17H,7-8,12-14H2,(H2,30,31,33)
• InChIKey: BZULRRQAZGLWDN-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 114.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.56
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[2-[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(oxetan-3-yl)urea?

The IUPAC name of 1-[3-fluoro-4-[2-[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(oxetan-3-yl)urea (CID 71548211) is 1-[3-fluoro-4-[2-[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(oxetan-3-yl)urea.

What is the SMILES notation for 1-[3-fluoro-4-[2-[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(oxetan-3-yl)urea?

The canonical SMILES for 1-[3-fluoro-4-[2-[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(oxetan-3-yl)urea is O=C(Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOC5=O)cn4)sc23)c(F)c1)NC1COC1.

What is the InChIKey of 1-[3-fluoro-4-[2-[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(oxetan-3-yl)urea?

The InChIKey is BZULRRQAZGLWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O5S/c27-18-9-16(30-25(33)31-17-13-35-14-17)2-4-21(18)37-22-5-6-28-20-10-23(38-24(20)22)19-3-1-15(11-29-19)12-32-7-8-36-26(32)34/h1-6,9-11,17H,7-8,12-14H2,(H2,30,31,33).

What are the key properties of 1-[3-fluoro-4-[2-[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(oxetan-3-yl)urea?

1-[3-fluoro-4-[2-[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(oxetan-3-yl)urea has a molecular weight of 535.56 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-fluoro-4-[2-[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(oxetan-3-yl)urea is sourced from PubChem (CID 71548211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).