1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one

C29H24FN5O3S — CID 146988150

IUPAC1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one
SMILESCCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)c1
InChIInChI=1S/C29H24FN5O3S/c1-2-33-17-23(32-18-33)26-16-22-28(39-26)25(10-11-31-22)38-24-9-8-19(14-21(24)30)15-27(36)35-13-12-34(29(35)37)20-6-4-3-5-7-20/h3-11,14,16-18H,2,12-13,15H2,1H3
InChIKeyAPRAWIHJZRCSHB-UHFFFAOYSA-N
MW541.61 g/mol
LogP6.12
Rot. Bonds7

About 1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one

1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one (PubChem CID 146988150) has the molecular formula C29H24FN5O3S and a molecular weight of 541.61 g/mol. Its IUPAC name is 1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one
PubChem CID146988150
Molecular FormulaC29H24FN5O3S
Molecular Weight541.61 g/mol
Exact Mass541.16
IUPAC Name1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one
SMILESCCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)c1
InChIInChI=1S/C29H24FN5O3S/c1-2-33-17-23(32-18-33)26-16-22-28(39-26)25(10-11-31-22)38-24-9-8-19(14-21(24)30)15-27(36)35-13-12-34(29(35)37)20-6-4-3-5-7-20/h3-11,14,16-18H,2,12-13,15H2,1H3
InChIKeyAPRAWIHJZRCSHB-UHFFFAOYSA-N
XLogP6.12
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.61
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide
CID 24901704
3-(3-fluoro-4-{[2-(1-methyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 11713310
N-(4-(2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 16040363
3-(4-{[2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy}-3-fluorophenyl)-1-(2-phenylacetyl)thiourea
CID 24901705
3-(4-{[2-(1-ethyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}-3-fluorophenyl)-1-(2-phenylacetyl)thiourea
CID 24901706
3-(3-fluoro-4-{[2-(1-methyl-1H-pyrrol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 24901714
3-(3-Fluoro-4-{[2-(pyrimidin-5-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 24901716
1-Imidazolidinecarboxamide, N-[4-[[2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxo-
CID 16040525
1,1-Cyclopropanedicarboxamide, N-[4-[[2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy]-3-fluorophenyl]-N'-phenyl-
CID 16042707
3-(3-fluoro-4-{[2-(1-methyl-1H-1,2,4-triazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 24901708
N-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[2,3-b]pyridin-4-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide
CID 127041351
N-(4-(2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-3-(2-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
CID 16040526

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one?
The IUPAC name of 1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one (CID 146988150) is 1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one is CCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)c1.
What is the InChIKey of 1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one?
The InChIKey is APRAWIHJZRCSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN5O3S/c1-2-33-17-23(32-18-33)26-16-22-28(39-26)25(10-11-31-22)38-24-9-8-19(14-21(24)30)15-27(36)35-13-12-34(29(35)37)20-6-4-3-5-7-20/h3-11,14,16-18H,2,12-13,15H2,1H3.
What are the key properties of 1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one?
1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one has a molecular weight of 541.61 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one is sourced from PubChem (CID 146988150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).