8-methylimidazo[1,2-a]pyridine;7-methyl-1H-indazole;4-methyl-1,5-naphthyridine;4-methyl-1,6-naphthyridine;4-methyl-1,8-naphthyridine;7-methyl-[1,2]oxazolo[4,3-b]pyridine;7-methyl-[1,2]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[5,4-b]pyridine;7-methylpyrazolo[1,5-a]pyridine;4-methylpyrido[3,4-d]pyrimidine;7-methyl-[1,3]thiazolo[4,5-b]pyridine;7-methyl-[1,3]thiazolo[5,4-b]pyridine;3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
C107H97N31O4S2 — CID 159631102
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC8-methylimidazo[1,2-a]pyridine;7-methyl-1H-indazole;4-methyl-1,5-naphthyridine;4-methyl-1,6-naphthyridine;4-methyl-1,8-naphthyridine;7-methyl-[1,2]oxazolo[4,3-b]pyridine;7-methyl-[1,2]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[5,4-b]pyridine;7-methylpyrazolo[1,5-a]pyridine;4-methylpyrido[3,4-d]pyrimidine;7-methyl-[1,3]thiazolo[4,5-b]pyridine;7-methyl-[1,3]thiazolo[5,4-b]pyridine;3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cccc2ccnn12.Cc1cccc2cn[nH]c12.Cc1cccn2ccnc12.Cc1ccnc2cccnc12.Cc1ccnc2ccncc12.Cc1ccnc2cnoc12.Cc1ccnc2conc12.Cc1ccnc2ncccc12.Cc1ccnc2ncoc12.Cc1ccnc2ncsc12.Cc1ccnc2ocnc12.Cc1ccnc2scnc12.Cc1ncnc2cnccc12.Cc1nnc2ccncn12
InChIInChI=1S/3C9H8N2.C8H7N3.3C8H8N2.4C7H6N2O.2C7H6N2S.C6H6N4/c1-7-2-5-11-9-3-4-10-6-8(7)9;1-7-4-6-10-8-3-2-5-11-9(7)8;1-7-4-6-11-9-8(7)3-2-5-10-9;1-6-7-2-3-9-4-8(7)11-5-10-6;1-7-3-2-5-10-6-4-9-8(7)10;1-7-3-2-4-8-5-6-9-10(7)8;1-6-3-2-4-7-5-9-10-8(6)7;1-5-2-3-8-7-6(5)10-4-9-7;1-5-2-3-8-7-6(5)9-4-10-7;1-5-2-3-8-6-4-10-9-7(5)6;1-5-2-3-8-6-4-9-10-7(5)6;1-5-2-3-8-7-6(5)10-4-9-7;1-5-2-3-8-7-6(5)9-4-10-7;1-5-8-9-6-2-3-7-4-10(5)6/h3*2-6H,1H3;2-5H,1H3;2*2-6H,1H3;2-5H,1H3,(H,9,10);7*2-4H,1H3
InChIKeyMPDFHBUWRUFFIX-UHFFFAOYSA-N
MW1945.30 g/mol
LogP22.86
Rot. Bonds
About 8-methylimidazo[1,2-a]pyridine;7-methyl-1H-indazole;4-methyl-1,5-naphthyridine;4-methyl-1,6-naphthyridine;4-methyl-1,8-naphthyridine;7-methyl-[1,2]oxazolo[4,3-b]pyridine;7-methyl-[1,2]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[5,4-b]pyridine;7-methylpyrazolo[1,5-a]pyridine;4-methylpyrido[3,4-d]pyrimidine;7-methyl-[1,3]thiazolo[4,5-b]pyridine;7-methyl-[1,3]thiazolo[5,4-b]pyridine;3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
8-methylimidazo[1,2-a]pyridine;7-methyl-1H-indazole;4-methyl-1,5-naphthyridine;4-methyl-1,6-naphthyridine;4-methyl-1,8-naphthyridine;7-methyl-[1,2]oxazolo[4,3-b]pyridine;7-methyl-[1,2]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[5,4-b]pyridine;7-methylpyrazolo[1,5-a]pyridine;4-methylpyrido[3,4-d]pyrimidine;7-methyl-[1,3]thiazolo[4,5-b]pyridine;7-methyl-[1,3]thiazolo[5,4-b]pyridine;3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 159631102) has the molecular formula C107H97N31O4S2 and a molecular weight of 1945.30 g/mol. Its IUPAC name is 8-methylimidazo[1,2-a]pyridine;7-methyl-1H-indazole;4-methyl-1,5-naphthyridine;4-methyl-1,6-naphthyridine;4-methyl-1,8-naphthyridine;7-methyl-[1,2]oxazolo[4,3-b]pyridine;7-methyl-[1,2]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[5,4-b]pyridine;7-methylpyrazolo[1,5-a]pyridine;4-methylpyrido[3,4-d]pyrimidine;7-methyl-[1,3]thiazolo[4,5-b]pyridine;7-methyl-[1,3]thiazolo[5,4-b]pyridine;3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine.
Molecular Properties
| Compound Name | 8-methylimidazo[1,2-a]pyridine;7-methyl-1H-indazole;4-methyl-1,5-naphthyridine;4-methyl-1,6-naphthyridine;4-methyl-1,8-naphthyridine;7-methyl-[1,2]oxazolo[4,3-b]pyridine;7-methyl-[1,2]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[5,4-b]pyridine;7-methylpyrazolo[1,5-a]pyridine;4-methylpyrido[3,4-d]pyrimidine;7-methyl-[1,3]thiazolo[4,5-b]pyridine;7-methyl-[1,3]thiazolo[5,4-b]pyridine;3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine |
|---|---|
| PubChem CID | 159631102 |
| Molecular Formula | C107H97N31O4S2 |
| Molecular Weight | 1945.30 g/mol |
| Exact Mass | 1943.78 |
| IUPAC Name | 8-methylimidazo[1,2-a]pyridine;7-methyl-1H-indazole;4-methyl-1,5-naphthyridine;4-methyl-1,6-naphthyridine;4-methyl-1,8-naphthyridine;7-methyl-[1,2]oxazolo[4,3-b]pyridine;7-methyl-[1,2]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[5,4-b]pyridine;7-methylpyrazolo[1,5-a]pyridine;4-methylpyrido[3,4-d]pyrimidine;7-methyl-[1,3]thiazolo[4,5-b]pyridine;7-methyl-[1,3]thiazolo[5,4-b]pyridine;3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine |
| SMILES | Cc1cccc2ccnn12.Cc1cccc2cn[nH]c12.Cc1cccn2ccnc12.Cc1ccnc2cccnc12.Cc1ccnc2ccncc12.Cc1ccnc2cnoc12.Cc1ccnc2conc12.Cc1ccnc2ncccc12.Cc1ccnc2ncoc12.Cc1ccnc2ncsc12.Cc1ccnc2ocnc12.Cc1ccnc2scnc12.Cc1ncnc2cnccc12.Cc1nnc2ccncn12 |
| InChI | InChI=1S/3C9H8N2.C8H7N3.3C8H8N2.4C7H6N2O.2C7H6N2S.C6H6N4/c1-7-2-5-11-9-3-4-10-6-8(7)9;1-7-4-6-10-8-3-2-5-11-9(7)8;1-7-4-6-11-9-8(7)3-2-5-10-9;1-6-7-2-3-9-4-8(7)11-5-10-6;1-7-3-2-5-10-6-4-9-8(7)10;1-7-3-2-4-8-5-6-9-10(7)8;1-6-3-2-4-7-5-9-10-8(6)7;1-5-2-3-8-7-6(5)10-4-9-7;1-5-2-3-8-7-6(5)9-4-10-7;1-5-2-3-8-6-4-10-9-7(5)6;1-5-2-3-8-6-4-9-10-7(5)6;1-5-2-3-8-7-6(5)10-4-9-7;1-5-2-3-8-7-6(5)9-4-10-7;1-5-8-9-6-2-3-7-4-10(5)6/h3*2-6H,1H3;2-5H,1H3;2*2-6H,1H3;2-5H,1H3,(H,9,10);7*2-4H,1H3 |
| InChIKey | MPDFHBUWRUFFIX-UHFFFAOYSA-N |
| XLogP | 22.86 |
| TPSA | 429.61 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | |
| Heavy Atoms | 144 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1945.30 |
| LogP ≤ 5 | 22.86 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 36 |
Frequently Asked Questions
What is the IUPAC name of 8-methylimidazo[1,2-a]pyridine;7-methyl-1H-indazole;4-methyl-1,5-naphthyridine;4-methyl-1,6-naphthyridine;4-methyl-1,8-naphthyridine;7-methyl-[1,2]oxazolo[4,3-b]pyridine;7-methyl-[1,2]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[5,4-b]pyridine;7-methylpyrazolo[1,5-a]pyridine;4-methylpyrido[3,4-d]pyrimidine;7-methyl-[1,3]thiazolo[4,5-b]pyridine;7-methyl-[1,3]thiazolo[5,4-b]pyridine;3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 8-methylimidazo[1,2-a]pyridine;7-methyl-1H-indazole;4-methyl-1,5-naphthyridine;4-methyl-1,6-naphthyridine;4-methyl-1,8-naphthyridine;7-methyl-[1,2]oxazolo[4,3-b]pyridine;7-methyl-[1,2]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[5,4-b]pyridine;7-methylpyrazolo[1,5-a]pyridine;4-methylpyrido[3,4-d]pyrimidine;7-methyl-[1,3]thiazolo[4,5-b]pyridine;7-methyl-[1,3]thiazolo[5,4-b]pyridine;3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine (CID 159631102) is 8-methylimidazo[1,2-a]pyridine;7-methyl-1H-indazole;4-methyl-1,5-naphthyridine;4-methyl-1,6-naphthyridine;4-methyl-1,8-naphthyridine;7-methyl-[1,2]oxazolo[4,3-b]pyridine;7-methyl-[1,2]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[5,4-b]pyridine;7-methylpyrazolo[1,5-a]pyridine;4-methylpyrido[3,4-d]pyrimidine;7-methyl-[1,3]thiazolo[4,5-b]pyridine;7-methyl-[1,3]thiazolo[5,4-b]pyridine;3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 8-methylimidazo[1,2-a]pyridine;7-methyl-1H-indazole;4-methyl-1,5-naphthyridine;4-methyl-1,6-naphthyridine;4-methyl-1,8-naphthyridine;7-methyl-[1,2]oxazolo[4,3-b]pyridine;7-methyl-[1,2]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[5,4-b]pyridine;7-methylpyrazolo[1,5-a]pyridine;4-methylpyrido[3,4-d]pyrimidine;7-methyl-[1,3]thiazolo[4,5-b]pyridine;7-methyl-[1,3]thiazolo[5,4-b]pyridine;3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 8-methylimidazo[1,2-a]pyridine;7-methyl-1H-indazole;4-methyl-1,5-naphthyridine;4-methyl-1,6-naphthyridine;4-methyl-1,8-naphthyridine;7-methyl-[1,2]oxazolo[4,3-b]pyridine;7-methyl-[1,2]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[5,4-b]pyridine;7-methylpyrazolo[1,5-a]pyridine;4-methylpyrido[3,4-d]pyrimidine;7-methyl-[1,3]thiazolo[4,5-b]pyridine;7-methyl-[1,3]thiazolo[5,4-b]pyridine;3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1cccc2ccnn12.Cc1cccc2cn[nH]c12.Cc1cccn2ccnc12.Cc1ccnc2cccnc12.Cc1ccnc2ccncc12.Cc1ccnc2cnoc12.Cc1ccnc2conc12.Cc1ccnc2ncccc12.Cc1ccnc2ncoc12.Cc1ccnc2ncsc12.Cc1ccnc2ocnc12.Cc1ccnc2scnc12.Cc1ncnc2cnccc12.Cc1nnc2ccncn12.
What is the InChIKey of 8-methylimidazo[1,2-a]pyridine;7-methyl-1H-indazole;4-methyl-1,5-naphthyridine;4-methyl-1,6-naphthyridine;4-methyl-1,8-naphthyridine;7-methyl-[1,2]oxazolo[4,3-b]pyridine;7-methyl-[1,2]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[5,4-b]pyridine;7-methylpyrazolo[1,5-a]pyridine;4-methylpyrido[3,4-d]pyrimidine;7-methyl-[1,3]thiazolo[4,5-b]pyridine;7-methyl-[1,3]thiazolo[5,4-b]pyridine;3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is MPDFHBUWRUFFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H8N2.C8H7N3.3C8H8N2.4C7H6N2O.2C7H6N2S.C6H6N4/c1-7-2-5-11-9-3-4-10-6-8(7)9;1-7-4-6-10-8-3-2-5-11-9(7)8;1-7-4-6-11-9-8(7)3-2-5-10-9;1-6-7-2-3-9-4-8(7)11-5-10-6;1-7-3-2-5-10-6-4-9-8(7)10;1-7-3-2-4-8-5-6-9-10(7)8;1-6-3-2-4-7-5-9-10-8(6)7;1-5-2-3-8-7-6(5)10-4-9-7;1-5-2-3-8-7-6(5)9-4-10-7;1-5-2-3-8-6-4-10-9-7(5)6;1-5-2-3-8-6-4-9-10-7(5)6;1-5-2-3-8-7-6(5)10-4-9-7;1-5-2-3-8-7-6(5)9-4-10-7;1-5-8-9-6-2-3-7-4-10(5)6/h3*2-6H,1H3;2-5H,1H3;2*2-6H,1H3;2-5H,1H3,(H,9,10);7*2-4H,1H3.
What are the key properties of 8-methylimidazo[1,2-a]pyridine;7-methyl-1H-indazole;4-methyl-1,5-naphthyridine;4-methyl-1,6-naphthyridine;4-methyl-1,8-naphthyridine;7-methyl-[1,2]oxazolo[4,3-b]pyridine;7-methyl-[1,2]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[5,4-b]pyridine;7-methylpyrazolo[1,5-a]pyridine;4-methylpyrido[3,4-d]pyrimidine;7-methyl-[1,3]thiazolo[4,5-b]pyridine;7-methyl-[1,3]thiazolo[5,4-b]pyridine;3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
8-methylimidazo[1,2-a]pyridine;7-methyl-1H-indazole;4-methyl-1,5-naphthyridine;4-methyl-1,6-naphthyridine;4-methyl-1,8-naphthyridine;7-methyl-[1,2]oxazolo[4,3-b]pyridine;7-methyl-[1,2]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[5,4-b]pyridine;7-methylpyrazolo[1,5-a]pyridine;4-methylpyrido[3,4-d]pyrimidine;7-methyl-[1,3]thiazolo[4,5-b]pyridine;7-methyl-[1,3]thiazolo[5,4-b]pyridine;3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 1945.30 g/mol, XLogP of 22.86, 0 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylimidazo[1,2-a]pyridine;7-methyl-1H-indazole;4-methyl-1,5-naphthyridine;4-methyl-1,6-naphthyridine;4-methyl-1,8-naphthyridine;7-methyl-[1,2]oxazolo[4,3-b]pyridine;7-methyl-[1,2]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[5,4-b]pyridine;7-methylpyrazolo[1,5-a]pyridine;4-methylpyrido[3,4-d]pyrimidine;7-methyl-[1,3]thiazolo[4,5-b]pyridine;7-methyl-[1,3]thiazolo[5,4-b]pyridine;3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 159631102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159631102 — identifiers, structure, computed properties (public domain)
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