tert-butyl N-[[6-[7-[2-fluoro-4-[2-oxo-2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate

C38H38FN5O6S — CID 158131674

About tert-butyl N-[[6-[7-[2-fluoro-4-[2-oxo-2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate

tert-butyl N-[[6-[7-[2-fluoro-4-[2-oxo-2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate (PubChem CID 158131674) has the molecular formula C38H38FN5O6S and a molecular weight of 711.82 g/mol. Its IUPAC name is tert-butyl N-[[6-[7-[2-fluoro-4-[2-oxo-2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[6-[7-[2-fluoro-4-[2-oxo-2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate
• PubChem CID: 158131674
• Molecular Formula: C38H38FN5O6S
• Molecular Weight: 711.82 g/mol
• Exact Mass: 711.25
• IUPAC Name: tert-butyl N-[[6-[7-[2-fluoro-4-[2-oxo-2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate
• SMILES: COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)nc1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C38H38FN5O6S/c1-38(2,3)50-37(47)42(18-19-48-4)24-26-10-12-29(41-23-26)33-22-30-35(51-33)32(14-15-40-30)49-31-13-11-25(20-28(31)39)21-34(45)44-17-16-43(36(44)46)27-8-6-5-7-9-27/h5-15,20,22-23H,16-19,21,24H2,1-4H3
• InChIKey: BIVVCUUJHRMRPT-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 114.40 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.82
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-[7-[2-fluoro-4-[2-oxo-2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate?

The IUPAC name of tert-butyl N-[[6-[7-[2-fluoro-4-[2-oxo-2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate (CID 158131674) is tert-butyl N-[[6-[7-[2-fluoro-4-[2-oxo-2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate.

What is the SMILES notation for tert-butyl N-[[6-[7-[2-fluoro-4-[2-oxo-2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate?

The canonical SMILES for tert-butyl N-[[6-[7-[2-fluoro-4-[2-oxo-2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate is COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)nc1)C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[[6-[7-[2-fluoro-4-[2-oxo-2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate?

The InChIKey is BIVVCUUJHRMRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38FN5O6S/c1-38(2,3)50-37(47)42(18-19-48-4)24-26-10-12-29(41-23-26)33-22-30-35(51-33)32(14-15-40-30)49-31-13-11-25(20-28(31)39)21-34(45)44-17-16-43(36(44)46)27-8-6-5-7-9-27/h5-15,20,22-23H,16-19,21,24H2,1-4H3.

What are the key properties of tert-butyl N-[[6-[7-[2-fluoro-4-[2-oxo-2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate?

tert-butyl N-[[6-[7-[2-fluoro-4-[2-oxo-2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate has a molecular weight of 711.82 g/mol, XLogP of 7.68, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[6-[7-[2-fluoro-4-[2-oxo-2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 158131674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).