2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]pyridazin-3-one

C17H13N5O3 — CID 118905318

IUPAC2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]pyridazin-3-one
SMILESCn1nc(COc2cnc3oc(-c4cccnc4)nc3c2)ccc1=O
InChIInChI=1S/C17H13N5O3/c1-22-15(23)5-4-12(21-22)10-24-13-7-14-17(19-9-13)25-16(20-14)11-3-2-6-18-8-11/h2-9H,10H2,1H3
InChIKeyJZJPSLLERBICRI-UHFFFAOYSA-N
MW335.32 g/mol
LogP1.96
Rot. Bonds4

About 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]pyridazin-3-one

2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]pyridazin-3-one (PubChem CID 118905318) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]pyridazin-3-one
PubChem CID118905318
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Name2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]pyridazin-3-one
SMILESCn1nc(COc2cnc3oc(-c4cccnc4)nc3c2)ccc1=O
InChIInChI=1S/C17H13N5O3/c1-22-15(23)5-4-12(21-22)10-24-13-7-14-17(19-9-13)25-16(20-14)11-3-2-6-18-8-11/h2-9H,10H2,1H3
InChIKeyJZJPSLLERBICRI-UHFFFAOYSA-N
XLogP1.96
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]pyridazin-3-one 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]-3H-pyridazin-3-ol
CID 166644719
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
5-[[5-(ethoxymethoxy)-2-pyridinyl]methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 159177911
6-chloro-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine
CID 82337706
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
6-[(5-methoxy-2-pyridinyl)methoxy]-2-(2-methylpyrimidin-4-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 166038673
5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 153469818
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-methyl-6-[5-[(5-propoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridazin-3-one
CID 155091413
5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 153469802

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]pyridazin-3-one (CID 118905318) is 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]pyridazin-3-one is Cn1nc(COc2cnc3oc(-c4cccnc4)nc3c2)ccc1=O.
What is the InChIKey of 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]pyridazin-3-one?
The InChIKey is JZJPSLLERBICRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3/c1-22-15(23)5-4-12(21-22)10-24-13-7-14-17(19-9-13)25-16(20-14)11-3-2-6-18-8-11/h2-9H,10H2,1H3.
What are the key properties of 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]pyridazin-3-one?
2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]pyridazin-3-one has a molecular weight of 335.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]pyridazin-3-one is sourced from PubChem (CID 118905318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).