1-cyclopropyl-3-[2,3-difluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea

C22H16F2N4O2S — CID 141318353

About 1-cyclopropyl-3-[2,3-difluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea

1-cyclopropyl-3-[2,3-difluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea (PubChem CID 141318353) has the molecular formula C22H16F2N4O2S and a molecular weight of 438.46 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2,3-difluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[2,3-difluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea
• PubChem CID: 141318353
• Molecular Formula: C22H16F2N4O2S
• Molecular Weight: 438.46 g/mol
• Exact Mass: 438.10
• IUPAC Name: 1-cyclopropyl-3-[2,3-difluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea
• SMILES: O=C(Nc1ccc(Oc2ccnc3cc(-c4ccccn4)sc23)c(F)c1F)NC1CC1
• InChI: InChI=1S/C22H16F2N4O2S/c23-19-14(28-22(29)27-12-4-5-12)6-7-16(20(19)24)30-17-8-10-26-15-11-18(31-21(15)17)13-3-1-2-9-25-13/h1-3,6-12H,4-5H2,(H2,27,28,29)
• InChIKey: CERFXZQMDJSJQJ-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 76.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.46
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2,3-difluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea?

The IUPAC name of 1-cyclopropyl-3-[2,3-difluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea (CID 141318353) is 1-cyclopropyl-3-[2,3-difluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea.

What is the SMILES notation for 1-cyclopropyl-3-[2,3-difluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea?

The canonical SMILES for 1-cyclopropyl-3-[2,3-difluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea is O=C(Nc1ccc(Oc2ccnc3cc(-c4ccccn4)sc23)c(F)c1F)NC1CC1.

What is the InChIKey of 1-cyclopropyl-3-[2,3-difluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea?

The InChIKey is CERFXZQMDJSJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O2S/c23-19-14(28-22(29)27-12-4-5-12)6-7-16(20(19)24)30-17-8-10-26-15-11-18(31-21(15)17)13-3-1-2-9-25-13/h1-3,6-12H,4-5H2,(H2,27,28,29).

What are the key properties of 1-cyclopropyl-3-[2,3-difluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea?

1-cyclopropyl-3-[2,3-difluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea has a molecular weight of 438.46 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[2,3-difluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea is sourced from PubChem (CID 141318353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).