[4-[4-fluoro-3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]-(4-propylpiperazin-1-yl)methanone

C35H34FN5O4S — CID 139374142

IUPAC[4-[4-fluoro-3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2ccc(-c3ccc(F)c(OCc4cc(OC)cc5oc(-c6cn7nc(C)sc7n6)cc45)c3)cc2)CC1
InChIInChI=1S/C35H34FN5O4S/c1-4-11-39-12-14-40(15-13-39)34(42)24-7-5-23(6-8-24)25-9-10-29(36)32(17-25)44-21-26-16-27(43-3)18-31-28(26)19-33(45-31)30-20-41-35(37-30)46-22(2)38-41/h5-10,16-20H,4,11-15,21H2,1-3H3
InChIKeyGULFNBQRHLOXLR-UHFFFAOYSA-N
MW639.75 g/mol
LogP7.07
Rot. Bonds9

About [4-[4-fluoro-3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]-(4-propylpiperazin-1-yl)methanone

[4-[4-fluoro-3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 139374142) has the molecular formula C35H34FN5O4S and a molecular weight of 639.75 g/mol. Its IUPAC name is [4-[4-fluoro-3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[4-fluoro-3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]-(4-propylpiperazin-1-yl)methanone
PubChem CID139374142
Molecular FormulaC35H34FN5O4S
Molecular Weight639.75 g/mol
Exact Mass639.23
IUPAC Name[4-[4-fluoro-3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2ccc(-c3ccc(F)c(OCc4cc(OC)cc5oc(-c6cn7nc(C)sc7n6)cc45)c3)cc2)CC1
InChIInChI=1S/C35H34FN5O4S/c1-4-11-39-12-14-40(15-13-39)34(42)24-7-5-23(6-8-24)25-9-10-29(36)32(17-25)44-21-26-16-27(43-3)18-31-28(26)19-33(45-31)30-20-41-35(37-30)46-22(2)38-41/h5-10,16-20H,4,11-15,21H2,1-3H3
InChIKeyGULFNBQRHLOXLR-UHFFFAOYSA-N
XLogP7.07
TPSA85.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.75
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [4-[4-fluoro-3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]-(4-propylpiperazin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-(3-hydroxypropyl)piperazin-1-yl]-[4-[3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]methanone
CID 139372606
(2-fluorophenyl)-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone
CID 139269052
[6-[3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3-pyridinyl]-piperazin-1-ylmethanone
CID 139374286
[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone
CID 139269054
[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 139269059
(2,5-dimethylphenyl)-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone
CID 159231155
1-(4-iodophenyl)-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone
CID 146703683
6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;N-ethyl-4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;[4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 158536899
1-(2,4-difluorophenyl)-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone
CID 158034378
[(3S)-4-[[4-[4-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]phenyl]methyl]morpholin-3-yl]methanol
CID 154632798
(3,5-dimethylphenyl)-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone
CID 160588372
2-methoxy-6-[6-methoxy-4-[(3-methylphenyl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118068378

Frequently Asked Questions

What is the IUPAC name of [4-[4-fluoro-3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of [4-[4-fluoro-3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]-(4-propylpiperazin-1-yl)methanone (CID 139374142) is [4-[4-fluoro-3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[4-fluoro-3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[4-fluoro-3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2ccc(-c3ccc(F)c(OCc4cc(OC)cc5oc(-c6cn7nc(C)sc7n6)cc45)c3)cc2)CC1.
What is the InChIKey of [4-[4-fluoro-3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]-(4-propylpiperazin-1-yl)methanone?
The InChIKey is GULFNBQRHLOXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34FN5O4S/c1-4-11-39-12-14-40(15-13-39)34(42)24-7-5-23(6-8-24)25-9-10-29(36)32(17-25)44-21-26-16-27(43-3)18-31-28(26)19-33(45-31)30-20-41-35(37-30)46-22(2)38-41/h5-10,16-20H,4,11-15,21H2,1-3H3.
What are the key properties of [4-[4-fluoro-3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]-(4-propylpiperazin-1-yl)methanone?
[4-[4-fluoro-3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 639.75 g/mol, XLogP of 7.07, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-fluoro-3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 139374142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).