6-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-3-carboxamide

C28H23N5O6S — CID 139268994

IUPAC6-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(OCc2cccc(NC(=O)c3ccc(OC)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIInChI=1S/C28H23N5O6S/c1-35-19-10-22(20-12-24(39-23(20)11-19)21-14-33-27(31-21)40-28(32-33)37-3)38-15-16-5-4-6-18(9-16)30-26(34)17-7-8-25(36-2)29-13-17/h4-14H,15H2,1-3H3,(H,30,34)
InChIKeyPGFSSBGGSDIAFJ-UHFFFAOYSA-N
MW557.59 g/mol
LogP5.46
Rot. Bonds9

About 6-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-3-carboxamide

6-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-3-carboxamide (PubChem CID 139268994) has the molecular formula C28H23N5O6S and a molecular weight of 557.59 g/mol. Its IUPAC name is 6-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-3-carboxamide
PubChem CID139268994
Molecular FormulaC28H23N5O6S
Molecular Weight557.59 g/mol
Exact Mass557.14
IUPAC Name6-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(OCc2cccc(NC(=O)c3ccc(OC)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIInChI=1S/C28H23N5O6S/c1-35-19-10-22(20-12-24(39-23(20)11-19)21-14-33-27(31-21)40-28(32-33)37-3)38-15-16-5-4-6-18(9-16)30-26(34)17-7-8-25(36-2)29-13-17/h4-14H,15H2,1-3H3,(H,30,34)
InChIKeyPGFSSBGGSDIAFJ-UHFFFAOYSA-N
XLogP5.46
TPSA122.24 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500557.59
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

3,5-dimethoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]benzamide
CID 122521864
2,6-dichloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-4-carboxamide
CID 139269002
3-chloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-5-phenylmethoxybenzamide
CID 139269013
N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]cyclopentanecarboxamide
CID 122521321
2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-(6-phenoxy-3-pyridinyl)ethanone
CID 161009723
[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]methanol
CID 155545221
2-methoxy-6-[6-methoxy-4-[(3-methylphenyl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118068378
6-[4-[(3-iodophenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 122521872
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
2-methoxy-6-[6-methoxy-4-[[3-(2-phenylethyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 155515625
2-methoxy-6-[6-methoxy-4-[[3-(pyridin-3-ylmethoxy)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118068693
1-(3,5-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 148558042

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-3-carboxamide (CID 139268994) is 6-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-3-carboxamide is COc1cc(OCc2cccc(NC(=O)c3ccc(OC)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.
What is the InChIKey of 6-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-3-carboxamide?
The InChIKey is PGFSSBGGSDIAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O6S/c1-35-19-10-22(20-12-24(39-23(20)11-19)21-14-33-27(31-21)40-28(32-33)37-3)38-15-16-5-4-6-18(9-16)30-26(34)17-7-8-25(36-2)29-13-17/h4-14H,15H2,1-3H3,(H,30,34).
What are the key properties of 6-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-3-carboxamide?
6-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-3-carboxamide has a molecular weight of 557.59 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 139268994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).