6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-(1-oxidopyridin-1-ium-3-yl)-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine

C54H42N12O12 — CID 159850723

IUPAC6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-(1-oxidopyridin-1-ium-3-yl)-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(COc2cnc3oc(-c4ccc[n+]([O-])c4)nc3c2)[n+]([O-])c1.COc1ccc(COc2cnc3oc(-c4cccnc4)nc3c2)[n+]([O-])c1.COc1ccc(COc2cnc3oc(-c4cccnc4)nc3c2)nc1
InChIInChI=1S/C18H14N4O5.C18H14N4O4.C18H14N4O3/c1-25-14-5-4-13(22(24)10-14)11-26-15-7-16-18(19-8-15)27-17(20-16)12-3-2-6-21(23)9-12;1-24-14-5-4-13(22(23)10-14)11-25-15-7-16-18(20-9-15)26-17(21-16)12-3-2-6-19-8-12;1-23-14-5-4-13(20-9-14)11-24-15-7-16-18(21-10-15)25-17(22-16)12-3-2-6-19-8-12/h2-10H,11H2,1H3;2-10H,11H2,1H3;2-10H,11H2,1H3
InChIKeyNPWXOQHPUSDTQK-UHFFFAOYSA-N
MW1051.00 g/mol
LogP7.52
Rot. Bonds15

About 6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-(1-oxidopyridin-1-ium-3-yl)-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine

6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-(1-oxidopyridin-1-ium-3-yl)-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 159850723) has the molecular formula C54H42N12O12 and a molecular weight of 1051.00 g/mol. Its IUPAC name is 6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-(1-oxidopyridin-1-ium-3-yl)-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-(1-oxidopyridin-1-ium-3-yl)-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID159850723
Molecular FormulaC54H42N12O12
Molecular Weight1051.00 g/mol
Exact Mass1050.30
IUPAC Name6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-(1-oxidopyridin-1-ium-3-yl)-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(COc2cnc3oc(-c4ccc[n+]([O-])c4)nc3c2)[n+]([O-])c1.COc1ccc(COc2cnc3oc(-c4cccnc4)nc3c2)[n+]([O-])c1.COc1ccc(COc2cnc3oc(-c4cccnc4)nc3c2)nc1
InChIInChI=1S/C18H14N4O5.C18H14N4O4.C18H14N4O3/c1-25-14-5-4-13(22(24)10-14)11-26-15-7-16-18(19-8-15)27-17(20-16)12-3-2-6-21(23)9-12;1-24-14-5-4-13(22(23)10-14)11-25-15-7-16-18(20-9-15)26-17(21-16)12-3-2-6-19-8-12;1-23-14-5-4-13(20-9-14)11-24-15-7-16-18(21-10-15)25-17(22-16)12-3-2-6-19-8-12/h2-10H,11H2,1H3;2-10H,11H2,1H3;2-10H,11H2,1H3
InChIKeyNPWXOQHPUSDTQK-UHFFFAOYSA-N
XLogP7.52
TPSA291.63 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001051.00
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-(1-oxidopyridin-1-ium-3-yl)-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]pyridazin-3-one
CID 118905318
6-[(5-methoxy-2-pyridinyl)methoxy]-2-(2-methylpyrimidin-4-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 166038673
2-(chloromethyl)-5-methoxypyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;2-(2H-pyridin-2-ylium-5-yl)-[1,3]oxazolo[5,4-b]pyridin-6-ol;2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-amine
CID 158224669
5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 118905169
2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]-3H-pyridazin-3-ol
CID 166644719
5-[[5-(ethoxymethoxy)-2-pyridinyl]methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 159177911
5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole
CID 118905431
5-[6-[(3-methoxy-2-pyridinyl)methoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]pyridine-2-carboxylic acid
CID 130476687
2-[2-[2-[2-[2-[[6-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 177055878
2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole
CID 118905509
6-chloro-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine
CID 82337706
5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 153469818

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-(1-oxidopyridin-1-ium-3-yl)-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-(1-oxidopyridin-1-ium-3-yl)-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine (CID 159850723) is 6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-(1-oxidopyridin-1-ium-3-yl)-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-(1-oxidopyridin-1-ium-3-yl)-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-(1-oxidopyridin-1-ium-3-yl)-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine is COc1ccc(COc2cnc3oc(-c4ccc[n+]([O-])c4)nc3c2)[n+]([O-])c1.COc1ccc(COc2cnc3oc(-c4cccnc4)nc3c2)[n+]([O-])c1.COc1ccc(COc2cnc3oc(-c4cccnc4)nc3c2)nc1.
What is the InChIKey of 6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-(1-oxidopyridin-1-ium-3-yl)-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is NPWXOQHPUSDTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O5.C18H14N4O4.C18H14N4O3/c1-25-14-5-4-13(22(24)10-14)11-26-15-7-16-18(19-8-15)27-17(20-16)12-3-2-6-21(23)9-12;1-24-14-5-4-13(22(23)10-14)11-25-15-7-16-18(20-9-15)26-17(21-16)12-3-2-6-19-8-12;1-23-14-5-4-13(20-9-14)11-24-15-7-16-18(21-10-15)25-17(22-16)12-3-2-6-19-8-12/h2-10H,11H2,1H3;2-10H,11H2,1H3;2-10H,11H2,1H3.
What are the key properties of 6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-(1-oxidopyridin-1-ium-3-yl)-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine?
6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-(1-oxidopyridin-1-ium-3-yl)-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 1051.00 g/mol, XLogP of 7.52, 15 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-(1-oxidopyridin-1-ium-3-yl)-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-1-oxidopyridin-1-ium-2-yl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 159850723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).