1,3-dimethylimidazo[1,5-a]pyridine;bis(1,3-dimethylindazole);1,3-dimethyl-4,5,6,7-tetrahydroindazole;1,3-dimethylthieno[3,4-c]pyrazole;1,3-dimethylthieno[2,3-d]pyrazole;1,3-dimethylthieno[3,2-d]pyrazole

C57H68N14S3 — CID 158539091

IUPAC1,3-dimethylimidazo[1,5-a]pyridine;bis(1,3-dimethylindazole);1,3-dimethyl-4,5,6,7-tetrahydroindazole;1,3-dimethylthieno[3,4-c]pyrazole;1,3-dimethylthieno[2,3-d]pyrazole;1,3-dimethylthieno[3,2-d]pyrazole
SMILESCc1nc(C)n2ccccc12.Cc1nn(C)c2c1CCCC2.Cc1nn(C)c2ccccc12.Cc1nn(C)c2ccccc12.Cc1nn(C)c2ccsc12.Cc1nn(C)c2cscc12.Cc1nn(C)c2sccc12
InChIInChI=1S/C9H14N2.3C9H10N2.3C7H8N2S/c3*1-7-8-5-3-4-6-9(8)11(2)10-7;1-7-9-5-3-4-6-11(9)8(2)10-7;1-5-6-3-10-4-7(6)9(2)8-5;1-5-7-6(3-4-10-7)9(2)8-5;1-5-6-3-4-10-7(6)9(2)8-5/h3-6H2,1-2H3;3*3-6H,1-2H3;3*3-4H,1-2H3
InChIKeyHOHMIOUUULDCOJ-UHFFFAOYSA-N
MW1045.47 g/mol
LogP13.15
Rot. Bonds

About 1,3-dimethylimidazo[1,5-a]pyridine;bis(1,3-dimethylindazole);1,3-dimethyl-4,5,6,7-tetrahydroindazole;1,3-dimethylthieno[3,4-c]pyrazole;1,3-dimethylthieno[2,3-d]pyrazole;1,3-dimethylthieno[3,2-d]pyrazole

1,3-dimethylimidazo[1,5-a]pyridine;bis(1,3-dimethylindazole);1,3-dimethyl-4,5,6,7-tetrahydroindazole;1,3-dimethylthieno[3,4-c]pyrazole;1,3-dimethylthieno[2,3-d]pyrazole;1,3-dimethylthieno[3,2-d]pyrazole (PubChem CID 158539091) has the molecular formula C57H68N14S3 and a molecular weight of 1045.47 g/mol. Its IUPAC name is 1,3-dimethylimidazo[1,5-a]pyridine;bis(1,3-dimethylindazole);1,3-dimethyl-4,5,6,7-tetrahydroindazole;1,3-dimethylthieno[3,4-c]pyrazole;1,3-dimethylthieno[2,3-d]pyrazole;1,3-dimethylthieno[3,2-d]pyrazole.

Molecular Properties

Compound Name1,3-dimethylimidazo[1,5-a]pyridine;bis(1,3-dimethylindazole);1,3-dimethyl-4,5,6,7-tetrahydroindazole;1,3-dimethylthieno[3,4-c]pyrazole;1,3-dimethylthieno[2,3-d]pyrazole;1,3-dimethylthieno[3,2-d]pyrazole
PubChem CID158539091
Molecular FormulaC57H68N14S3
Molecular Weight1045.47 g/mol
Exact Mass1044.49
IUPAC Name1,3-dimethylimidazo[1,5-a]pyridine;bis(1,3-dimethylindazole);1,3-dimethyl-4,5,6,7-tetrahydroindazole;1,3-dimethylthieno[3,4-c]pyrazole;1,3-dimethylthieno[2,3-d]pyrazole;1,3-dimethylthieno[3,2-d]pyrazole
SMILESCc1nc(C)n2ccccc12.Cc1nn(C)c2c1CCCC2.Cc1nn(C)c2ccccc12.Cc1nn(C)c2ccccc12.Cc1nn(C)c2ccsc12.Cc1nn(C)c2cscc12.Cc1nn(C)c2sccc12
InChIInChI=1S/C9H14N2.3C9H10N2.3C7H8N2S/c3*1-7-8-5-3-4-6-9(8)11(2)10-7;1-7-9-5-3-4-6-11(9)8(2)10-7;1-5-6-3-10-4-7(6)9(2)8-5;1-5-7-6(3-4-10-7)9(2)8-5;1-5-6-3-4-10-7(6)9(2)8-5/h3-6H2,1-2H3;3*3-6H,1-2H3;3*3-4H,1-2H3
InChIKeyHOHMIOUUULDCOJ-UHFFFAOYSA-N
XLogP13.15
TPSA124.22 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001045.47
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1,3-dimethylimidazo[1,5-a]pyridine;bis(1,3-dimethylindazole);1,3-dimethyl-4,5,6,7-tetrahydroindazole;1,3-dimethylthieno[3,4-c]pyrazole;1,3-dimethylthieno[2,3-d]pyrazole;1,3-dimethylthieno[3,2-d]pyrazole with MolForge

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Related Compounds

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4-(2,5-Dimethylphenyl)-3-[({imidazo[1,2-A]pyridin-2-YL}methyl)sulfanyl]-5-{4-methyl-4H-thieno[3,2-B]pyrrol-5-YL}-4H-1,2,4-triazole
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4-(5-Imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylpyrimido[1,2-a]benzimidazole
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2-(5-Fluoro-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 171716193
2-[6-[3-(4-Fluorophenyl)-1-tritylpyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 22031239
5-[[2-(2,3-Difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[2,3-c]pyrazole
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5-[[2-(2-Fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[2,3-c]pyrazole
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2-[6-[1-[Cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 68812186
5-[[2-(2,3-Difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole;ethane
CID 143073526
2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;hexakis(2-(2H-naphthalen-2-id-1-yl)-1,3-thiazole);2-pyrazol-2-id-3-ylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 160021307
CID 162214132
CID 162214132

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylimidazo[1,5-a]pyridine;bis(1,3-dimethylindazole);1,3-dimethyl-4,5,6,7-tetrahydroindazole;1,3-dimethylthieno[3,4-c]pyrazole;1,3-dimethylthieno[2,3-d]pyrazole;1,3-dimethylthieno[3,2-d]pyrazole?
The IUPAC name of 1,3-dimethylimidazo[1,5-a]pyridine;bis(1,3-dimethylindazole);1,3-dimethyl-4,5,6,7-tetrahydroindazole;1,3-dimethylthieno[3,4-c]pyrazole;1,3-dimethylthieno[2,3-d]pyrazole;1,3-dimethylthieno[3,2-d]pyrazole (CID 158539091) is 1,3-dimethylimidazo[1,5-a]pyridine;bis(1,3-dimethylindazole);1,3-dimethyl-4,5,6,7-tetrahydroindazole;1,3-dimethylthieno[3,4-c]pyrazole;1,3-dimethylthieno[2,3-d]pyrazole;1,3-dimethylthieno[3,2-d]pyrazole.
What is the SMILES notation for 1,3-dimethylimidazo[1,5-a]pyridine;bis(1,3-dimethylindazole);1,3-dimethyl-4,5,6,7-tetrahydroindazole;1,3-dimethylthieno[3,4-c]pyrazole;1,3-dimethylthieno[2,3-d]pyrazole;1,3-dimethylthieno[3,2-d]pyrazole?
The canonical SMILES for 1,3-dimethylimidazo[1,5-a]pyridine;bis(1,3-dimethylindazole);1,3-dimethyl-4,5,6,7-tetrahydroindazole;1,3-dimethylthieno[3,4-c]pyrazole;1,3-dimethylthieno[2,3-d]pyrazole;1,3-dimethylthieno[3,2-d]pyrazole is Cc1nc(C)n2ccccc12.Cc1nn(C)c2c1CCCC2.Cc1nn(C)c2ccccc12.Cc1nn(C)c2ccccc12.Cc1nn(C)c2ccsc12.Cc1nn(C)c2cscc12.Cc1nn(C)c2sccc12.
What is the InChIKey of 1,3-dimethylimidazo[1,5-a]pyridine;bis(1,3-dimethylindazole);1,3-dimethyl-4,5,6,7-tetrahydroindazole;1,3-dimethylthieno[3,4-c]pyrazole;1,3-dimethylthieno[2,3-d]pyrazole;1,3-dimethylthieno[3,2-d]pyrazole?
The InChIKey is HOHMIOUUULDCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.3C9H10N2.3C7H8N2S/c3*1-7-8-5-3-4-6-9(8)11(2)10-7;1-7-9-5-3-4-6-11(9)8(2)10-7;1-5-6-3-10-4-7(6)9(2)8-5;1-5-7-6(3-4-10-7)9(2)8-5;1-5-6-3-4-10-7(6)9(2)8-5/h3-6H2,1-2H3;3*3-6H,1-2H3;3*3-4H,1-2H3.
What are the key properties of 1,3-dimethylimidazo[1,5-a]pyridine;bis(1,3-dimethylindazole);1,3-dimethyl-4,5,6,7-tetrahydroindazole;1,3-dimethylthieno[3,4-c]pyrazole;1,3-dimethylthieno[2,3-d]pyrazole;1,3-dimethylthieno[3,2-d]pyrazole?
1,3-dimethylimidazo[1,5-a]pyridine;bis(1,3-dimethylindazole);1,3-dimethyl-4,5,6,7-tetrahydroindazole;1,3-dimethylthieno[3,4-c]pyrazole;1,3-dimethylthieno[2,3-d]pyrazole;1,3-dimethylthieno[3,2-d]pyrazole has a molecular weight of 1045.47 g/mol, XLogP of 13.15, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylimidazo[1,5-a]pyridine;bis(1,3-dimethylindazole);1,3-dimethyl-4,5,6,7-tetrahydroindazole;1,3-dimethylthieno[3,4-c]pyrazole;1,3-dimethylthieno[2,3-d]pyrazole;1,3-dimethylthieno[3,2-d]pyrazole is sourced from PubChem (CID 158539091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).