4-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-2-(4-methoxyphenyl)-1,3-thiazole

C30H25N3O4S — CID 163215739

IUPAC4-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-2-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6cc(C7CC7)ccc6n5)cc34)cs2)cc1
InChIInChI=1S/C30H25N3O4S/c1-34-22-8-5-19(6-9-22)30-31-21(17-38-30)16-36-26-11-23(35-2)12-27-24(26)13-28(37-27)25-15-33-14-20(18-3-4-18)7-10-29(33)32-25/h5-15,17-18H,3-4,16H2,1-2H3
InChIKeyDZQNSACGCXGYBC-UHFFFAOYSA-N
MW523.61 g/mol
LogP7.34
Rot. Bonds8

About 4-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-2-(4-methoxyphenyl)-1,3-thiazole

4-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-2-(4-methoxyphenyl)-1,3-thiazole (PubChem CID 163215739) has the molecular formula C30H25N3O4S and a molecular weight of 523.61 g/mol. Its IUPAC name is 4-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-2-(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-2-(4-methoxyphenyl)-1,3-thiazole
PubChem CID163215739
Molecular FormulaC30H25N3O4S
Molecular Weight523.61 g/mol
Exact Mass523.16
IUPAC Name4-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-2-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6cc(C7CC7)ccc6n5)cc34)cs2)cc1
InChIInChI=1S/C30H25N3O4S/c1-34-22-8-5-19(6-9-22)30-31-21(17-38-30)16-36-26-11-23(35-2)12-27-24(26)13-28(37-27)25-15-33-14-20(18-3-4-18)7-10-29(33)32-25/h5-15,17-18H,3-4,16H2,1-2H3
InChIKeyDZQNSACGCXGYBC-UHFFFAOYSA-N
XLogP7.34
TPSA71.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.61
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-methoxyphenyl)-4-[[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole
CID 163215736
2-(4-fluorophenyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole
CID 163215752
N-(aminomethyl)-4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide
CID 130179778
4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole
CID 130179601
2-methoxy-6-[6-methoxy-4-[[2-[1-(trifluoromethylsulfanyl)piperidin-4-yl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 130179506
4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-(oxan-4-yl)-1,3-thiazole
CID 126700135
6-[4-[[2-(2-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 129286902
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
methane;4-[4-[[6-methoxy-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;2-methoxy-6-[6-methoxy-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 159784372
N-cyclopropyl-4-[4-[[7-[[2-[4-(dicyclopropylcarbamoyl)phenyl]-1,3-thiazol-4-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxy]methyl]-6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]benzamide
CID 130179668
2-[3-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 163215722
5-[(2S)-2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 163215769

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-2-(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-2-(4-methoxyphenyl)-1,3-thiazole (CID 163215739) is 4-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-2-(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-2-(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-2-(4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6cc(C7CC7)ccc6n5)cc34)cs2)cc1.
What is the InChIKey of 4-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-2-(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is DZQNSACGCXGYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O4S/c1-34-22-8-5-19(6-9-22)30-31-21(17-38-30)16-36-26-11-23(35-2)12-27-24(26)13-28(37-27)25-15-33-14-20(18-3-4-18)7-10-29(33)32-25/h5-15,17-18H,3-4,16H2,1-2H3.
What are the key properties of 4-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-2-(4-methoxyphenyl)-1,3-thiazole?
4-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-2-(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 523.61 g/mol, XLogP of 7.34, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-2-(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 163215739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).