N-[4-[2-(3-acetylphenyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide

C31H23FN4O4S — CID 44564669

IUPACN-[4-[2-(3-acetylphenyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCC(=O)c1cccc(-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)c1
InChIInChI=1S/C31H23FN4O4S/c1-19(37)20-6-5-7-21(16-20)28-18-25-29(41-28)27(12-13-33-25)40-26-11-10-22(17-24(26)32)34-30(38)36-15-14-35(31(36)39)23-8-3-2-4-9-23/h2-13,16-18H,14-15H2,1H3,(H,34,38)
InChIKeyFOSNOEXXSOQKEV-UHFFFAOYSA-N
MW566.61 g/mol
LogP7.57
Rot. Bonds6

About N-[4-[2-(3-acetylphenyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide

N-[4-[2-(3-acetylphenyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (PubChem CID 44564669) has the molecular formula C31H23FN4O4S and a molecular weight of 566.61 g/mol. Its IUPAC name is N-[4-[2-(3-acetylphenyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-acetylphenyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
PubChem CID44564669
Molecular FormulaC31H23FN4O4S
Molecular Weight566.61 g/mol
Exact Mass566.14
IUPAC NameN-[4-[2-(3-acetylphenyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCC(=O)c1cccc(-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)c1
InChIInChI=1S/C31H23FN4O4S/c1-19(37)20-6-5-7-21(16-20)28-18-25-29(41-28)27(12-13-33-25)40-26-11-10-22(17-24(26)32)34-30(38)36-15-14-35(31(36)39)23-8-3-2-4-9-23/h2-13,16-18H,14-15H2,1H3,(H,34,38)
InChIKeyFOSNOEXXSOQKEV-UHFFFAOYSA-N
XLogP7.57
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.61
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-acetylphenyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The IUPAC name of N-[4-[2-(3-acetylphenyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (CID 44564669) is N-[4-[2-(3-acetylphenyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.
What is the SMILES notation for N-[4-[2-(3-acetylphenyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The canonical SMILES for N-[4-[2-(3-acetylphenyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is CC(=O)c1cccc(-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)c1.
What is the InChIKey of N-[4-[2-(3-acetylphenyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The InChIKey is FOSNOEXXSOQKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23FN4O4S/c1-19(37)20-6-5-7-21(16-20)28-18-25-29(41-28)27(12-13-33-25)40-26-11-10-22(17-24(26)32)34-30(38)36-15-14-35(31(36)39)23-8-3-2-4-9-23/h2-13,16-18H,14-15H2,1H3,(H,34,38).
What are the key properties of N-[4-[2-(3-acetylphenyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
N-[4-[2-(3-acetylphenyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide has a molecular weight of 566.61 g/mol, XLogP of 7.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-acetylphenyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is sourced from PubChem (CID 44564669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).