2-bromo-6-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

C13H10BrN5O2S — CID 153363294

IUPAC2-bromo-6-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(OC)c2cc(-c3cn4nc(Br)sc4n3)nn2c1
InChIInChI=1S/C13H10BrN5O2S/c1-20-7-3-11(21-2)10-4-8(16-18(10)5-7)9-6-19-13(15-9)22-12(14)17-19/h3-6H,1-2H3
InChIKeyZJUVUTHWQUAKBH-UHFFFAOYSA-N
MW380.23 g/mol
LogP2.89
Rot. Bonds3

About 2-bromo-6-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

2-bromo-6-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 153363294) has the molecular formula C13H10BrN5O2S and a molecular weight of 380.23 g/mol. Its IUPAC name is 2-bromo-6-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-bromo-6-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID153363294
Molecular FormulaC13H10BrN5O2S
Molecular Weight380.23 g/mol
Exact Mass378.97
IUPAC Name2-bromo-6-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(OC)c2cc(-c3cn4nc(Br)sc4n3)nn2c1
InChIInChI=1S/C13H10BrN5O2S/c1-20-7-3-11(21-2)10-4-8(16-18(10)5-7)9-6-19-13(15-9)22-12(14)17-19/h3-6H,1-2H3
InChIKeyZJUVUTHWQUAKBH-UHFFFAOYSA-N
XLogP2.89
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-butoxy-6-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 153363289
2-methoxy-6-[6-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 146933694
2-[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-N-phenylacetamide
CID 147673011
2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159277
2-bromo-1-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)ethanone
CID 153363306
4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)pyrazolo[1,5-a]pyridin-4-yl]oxymethyl]-5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
CID 153363279
6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646364
6-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068438
6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068442
2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
CID 56965726
6-(4-bromophenyl)-2-(4-ethoxy-3,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 3045321
2-bromo-6-(5-fluoro-2-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 83125234

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-bromo-6-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 153363294) is 2-bromo-6-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-bromo-6-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-bromo-6-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is COc1cc(OC)c2cc(-c3cn4nc(Br)sc4n3)nn2c1.
What is the InChIKey of 2-bromo-6-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ZJUVUTHWQUAKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN5O2S/c1-20-7-3-11(21-2)10-4-8(16-18(10)5-7)9-6-19-13(15-9)22-12(14)17-19/h3-6H,1-2H3.
What are the key properties of 2-bromo-6-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
2-bromo-6-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 380.23 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 153363294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).