6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

C25H24ClN5O4S — CID 139293072

IUPAC6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(OCC2CCCN(c3ccc(Cl)cn3)C2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIInChI=1S/C25H24ClN5O4S/c1-32-17-8-20(34-14-15-4-3-7-30(12-15)23-6-5-16(26)11-27-23)18-10-22(35-21(18)9-17)19-13-31-24(28-19)36-25(29-31)33-2/h5-6,8-11,13,15H,3-4,7,12,14H2,1-2H3
InChIKeyZDDLDRUNKUUDQR-UHFFFAOYSA-N
MW526.02 g/mol
LogP5.57
Rot. Bonds7

About 6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 139293072) has the molecular formula C25H24ClN5O4S and a molecular weight of 526.02 g/mol. Its IUPAC name is 6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID139293072
Molecular FormulaC25H24ClN5O4S
Molecular Weight526.02 g/mol
Exact Mass525.12
IUPAC Name6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(OCC2CCCN(c3ccc(Cl)cn3)C2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIInChI=1S/C25H24ClN5O4S/c1-32-17-8-20(34-14-15-4-3-7-30(12-15)23-6-5-16(26)11-27-23)18-10-22(35-21(18)9-17)19-13-31-24(28-19)36-25(29-31)33-2/h5-6,8-11,13,15H,3-4,7,12,14H2,1-2H3
InChIKeyZDDLDRUNKUUDQR-UHFFFAOYSA-N
XLogP5.57
TPSA87.15 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.02
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole with MolForge

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Related Compounds

2-methoxy-6-[6-methoxy-4-[[(3R)-1-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 139293044
6-[4-[2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 145297497
6-[4-[[(3S)-1-(4-fluorophenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[2-[[2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-[(1-phenylpiperidin-4-yl)methoxy]-1-benzofuran-6-yl]oxy]ethoxy]imidazo[2,1-b][1,3,4]thiadiazole
CID 166808970
6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole
CID 140928347
6-[6-ethyl-4-[[1-(4-methylphenyl)sulfanylpiperidin-3-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 129070992
2-methoxy-6-[6-methoxy-4-[[2-[(2R)-2-methylpyrrolidin-1-yl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 170067964
ethyl 4-[2-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate
CID 139292995
2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118042417
2-methoxy-6-[6-methoxy-4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118042410
6-[4-[[3-[(3-chloro-4-methylphenyl)methoxy]phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068608
[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-[(2-phenylmethoxyphenyl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 155544936

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (CID 139293072) is 6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is COc1cc(OCC2CCCN(c3ccc(Cl)cn3)C2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.
What is the InChIKey of 6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ZDDLDRUNKUUDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O4S/c1-32-17-8-20(34-14-15-4-3-7-30(12-15)23-6-5-16(26)11-27-23)18-10-22(35-21(18)9-17)19-13-31-24(28-19)36-25(29-31)33-2/h5-6,8-11,13,15H,3-4,7,12,14H2,1-2H3.
What are the key properties of 6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 526.02 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 139293072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).