3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[2-[3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[2-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride

C103H92ClF6N11O12S3 — CID 159271479

IUPAC3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[2-[3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[2-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride
SMILESCOCCCCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)N5CCN(c6ccc(F)cc6)C5=O)cc4F)c3s2)cc1.COCCCCc1ccc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)cc1.COCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)N5CCN(c6ccc(F)cc6)C5=O)cc4F)c3s2)cc1.O=C(Cl)N1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C35H31F2N3O4S.C34H30F2N4O4S.C24H23FN2O2S.C10H8ClFN2O2/c1-43-19-3-2-4-23-5-8-25(9-6-23)32-22-29-34(45-32)31(15-16-38-29)44-30-14-7-24(20-28(30)37)21-33(41)40-18-17-39(35(40)42)27-12-10-26(36)11-13-27;1-43-17-14-37-21-22-2-5-24(6-3-22)31-20-28-33(45-31)30(12-13-38-28)44-29-11-4-23(18-27(29)36)19-32(41)40-16-15-39(34(40)42)26-9-7-25(35)8-10-26;1-28-13-3-2-4-16-5-7-17(8-6-16)23-15-20-24(30-23)22(11-12-27-20)29-21-10-9-18(26)14-19(21)25;11-9(15)14-6-5-13(10(14)16)8-3-1-7(12)2-4-8/h5-16,20,22H,2-4,17-19,21H2,1H3;2-13,18,20,37H,14-17,19,21H2,1H3;5-12,14-15H,2-4,13,26H2,1H3;1-4H,5-6H2
InChIKeyKXTQOOAXQJDPBN-UHFFFAOYSA-N
MW1921.58 g/mol
LogP23.67
Rot. Bonds31

About 3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[2-[3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[2-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride

3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[2-[3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[2-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride (PubChem CID 159271479) has the molecular formula C103H92ClF6N11O12S3 and a molecular weight of 1921.58 g/mol. Its IUPAC name is 3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[2-[3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[2-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[2-[3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[2-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride
PubChem CID159271479
Molecular FormulaC103H92ClF6N11O12S3
Molecular Weight1921.58 g/mol
Exact Mass1919.57
IUPAC Name3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[2-[3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[2-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride
SMILESCOCCCCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)N5CCN(c6ccc(F)cc6)C5=O)cc4F)c3s2)cc1.COCCCCc1ccc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)cc1.COCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)N5CCN(c6ccc(F)cc6)C5=O)cc4F)c3s2)cc1.O=C(Cl)N1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C35H31F2N3O4S.C34H30F2N4O4S.C24H23FN2O2S.C10H8ClFN2O2/c1-43-19-3-2-4-23-5-8-25(9-6-23)32-22-29-34(45-32)31(15-16-38-29)44-30-14-7-24(20-28(30)37)21-33(41)40-18-17-39(35(40)42)27-12-10-26(36)11-13-27;1-43-17-14-37-21-22-2-5-24(6-3-22)31-20-28-33(45-31)30(12-13-38-28)44-29-11-4-23(18-27(29)36)19-32(41)40-16-15-39(34(40)42)26-9-7-25(35)8-10-26;1-28-13-3-2-4-16-5-7-17(8-6-16)23-15-20-24(30-23)22(11-12-27-20)29-21-10-9-18(26)14-19(21)25;11-9(15)14-6-5-13(10(14)16)8-3-1-7(12)2-4-8/h5-16,20,22H,2-4,17-19,21H2,1H3;2-13,18,20,37H,14-17,19,21H2,1H3;5-12,14-15H,2-4,13,26H2,1H3;1-4H,5-6H2
InChIKeyKXTQOOAXQJDPBN-UHFFFAOYSA-N
XLogP23.67
TPSA253.96 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001921.58
LogP ≤ 523.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[2-[3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[2-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride with MolForge

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Related Compounds

1-[2-[3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one
CID 159271481
1-[2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-phenylimidazolidin-2-one
CID 158131673
bis(trichloromethyl) carbonate;4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;1-[2-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-3-phenylimidazolidin-2-one;bis(2-oxo-3-phenylimidazolidine-1-carbonyl chloride);1-phenylimidazolidin-2-one
CID 160905183
1-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione
CID 158930925
2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-[3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-1-yl]ethanone
CID 146800270
N-[3-fluoro-4-[2-[4-[(2-methylperoxysulfanylethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 59684966
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
1-N'-[3-fluoro-4-[2-[4-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 67048360
1-[1-[2-[4-[2-[4-[(ethoxymethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone
CID 152955102
methyl 3-[3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxopropyl]benzoate
CID 58207679
1-[1-[2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone
CID 158248299
N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 139511736

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[2-[3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[2-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride?
The IUPAC name of 3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[2-[3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[2-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride (CID 159271479) is 3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[2-[3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[2-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride.
What is the SMILES notation for 3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[2-[3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[2-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride?
The canonical SMILES for 3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[2-[3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[2-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride is COCCCCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)N5CCN(c6ccc(F)cc6)C5=O)cc4F)c3s2)cc1.COCCCCc1ccc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)cc1.COCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)N5CCN(c6ccc(F)cc6)C5=O)cc4F)c3s2)cc1.O=C(Cl)N1CCN(c2ccc(F)cc2)C1=O.
What is the InChIKey of 3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[2-[3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[2-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride?
The InChIKey is KXTQOOAXQJDPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31F2N3O4S.C34H30F2N4O4S.C24H23FN2O2S.C10H8ClFN2O2/c1-43-19-3-2-4-23-5-8-25(9-6-23)32-22-29-34(45-32)31(15-16-38-29)44-30-14-7-24(20-28(30)37)21-33(41)40-18-17-39(35(40)42)27-12-10-26(36)11-13-27;1-43-17-14-37-21-22-2-5-24(6-3-22)31-20-28-33(45-31)30(12-13-38-28)44-29-11-4-23(18-27(29)36)19-32(41)40-16-15-39(34(40)42)26-9-7-25(35)8-10-26;1-28-13-3-2-4-16-5-7-17(8-6-16)23-15-20-24(30-23)22(11-12-27-20)29-21-10-9-18(26)14-19(21)25;11-9(15)14-6-5-13(10(14)16)8-3-1-7(12)2-4-8/h5-16,20,22H,2-4,17-19,21H2,1H3;2-13,18,20,37H,14-17,19,21H2,1H3;5-12,14-15H,2-4,13,26H2,1H3;1-4H,5-6H2.
What are the key properties of 3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[2-[3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[2-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride?
3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[2-[3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[2-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride has a molecular weight of 1921.58 g/mol, XLogP of 23.67, 31 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[2-[3-fluoro-4-[2-[4-(4-methoxybutyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[2-[3-fluoro-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)imidazolidin-2-one;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride is sourced from PubChem (CID 159271479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).