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

C37H37FN6O6S — CID 71027919

About tert-butyl N-[[6-[7-[2-fluoro-4-[(2-oxo-3-phenylimidazolidine-1-carbonyl)amino]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-3-phenylimidazolidine-1-carbonyl)amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate (PubChem CID 71027919) has the molecular formula C37H37FN6O6S and a molecular weight of 712.80 g/mol. Its IUPAC name is tert-butyl N-[[6-[7-[2-fluoro-4-[(2-oxo-3-phenylimidazolidine-1-carbonyl)amino]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-3-phenylimidazolidine-1-carbonyl)amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate
• PubChem CID: 71027919
• Molecular Formula: C37H37FN6O6S
• Molecular Weight: 712.80 g/mol
• Exact Mass: 712.25
• IUPAC Name: tert-butyl N-[[6-[7-[2-fluoro-4-[(2-oxo-3-phenylimidazolidine-1-carbonyl)amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate
• SMILES: COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)nc1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C37H37FN6O6S/c1-37(2,3)50-36(47)42(18-19-48-4)23-24-10-12-28(40-22-24)32-21-29-33(51-32)31(14-15-39-29)49-30-13-11-25(20-27(30)38)41-34(45)44-17-16-43(35(44)46)26-8-6-5-7-9-26/h5-15,20-22H,16-19,23H2,1-4H3,(H,41,45)
• InChIKey: QCNFOVVWUWPBRE-UHFFFAOYSA-N
• XLogP: 8.15
• TPSA: 126.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.80
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-[7-[2-fluoro-4-[(2-oxo-3-phenylimidazolidine-1-carbonyl)amino]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-3-phenylimidazolidine-1-carbonyl)amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate (CID 71027919) is tert-butyl N-[[6-[7-[2-fluoro-4-[(2-oxo-3-phenylimidazolidine-1-carbonyl)amino]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-3-phenylimidazolidine-1-carbonyl)amino]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-3-phenylimidazolidine-1-carbonyl)amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate is COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=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-3-phenylimidazolidine-1-carbonyl)amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate?

The InChIKey is QCNFOVVWUWPBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37FN6O6S/c1-37(2,3)50-36(47)42(18-19-48-4)23-24-10-12-28(40-22-24)32-21-29-33(51-32)31(14-15-39-29)49-30-13-11-25(20-27(30)38)41-34(45)44-17-16-43(35(44)46)26-8-6-5-7-9-26/h5-15,20-22H,16-19,23H2,1-4H3,(H,41,45).

What are the key properties of tert-butyl N-[[6-[7-[2-fluoro-4-[(2-oxo-3-phenylimidazolidine-1-carbonyl)amino]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-3-phenylimidazolidine-1-carbonyl)amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate has a molecular weight of 712.80 g/mol, XLogP of 8.15, 10 rotatable bonds, 1 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-3-phenylimidazolidine-1-carbonyl)amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 71027919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).