4-methyl-6-methylidene-5-(2-methyl-4-pyrido[3,4-b]pyrazin-5-yloxyphenyl)pyridazin-3-one

C20H15N5O2 — CID 134814171

IUPAC4-methyl-6-methylidene-5-(2-methyl-4-pyrido[3,4-b]pyrazin-5-yloxyphenyl)pyridazin-3-one
SMILESC=C1N=NC(=O)C(C)=C1c1ccc(Oc2nccc3nccnc23)cc1C
InChIInChI=1S/C20H15N5O2/c1-11-10-14(27-20-18-16(6-7-23-20)21-8-9-22-18)4-5-15(11)17-12(2)19(26)25-24-13(17)3/h4-10H,3H2,1-2H3
InChIKeyMEKXWRDKJQNMKP-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.41
Rot. Bonds3

About 4-methyl-6-methylidene-5-(2-methyl-4-pyrido[3,4-b]pyrazin-5-yloxyphenyl)pyridazin-3-one

4-methyl-6-methylidene-5-(2-methyl-4-pyrido[3,4-b]pyrazin-5-yloxyphenyl)pyridazin-3-one (PubChem CID 134814171) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-methyl-6-methylidene-5-(2-methyl-4-pyrido[3,4-b]pyrazin-5-yloxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-methyl-6-methylidene-5-(2-methyl-4-pyrido[3,4-b]pyrazin-5-yloxyphenyl)pyridazin-3-one
PubChem CID134814171
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name4-methyl-6-methylidene-5-(2-methyl-4-pyrido[3,4-b]pyrazin-5-yloxyphenyl)pyridazin-3-one
SMILESC=C1N=NC(=O)C(C)=C1c1ccc(Oc2nccc3nccnc23)cc1C
InChIInChI=1S/C20H15N5O2/c1-11-10-14(27-20-18-16(6-7-23-20)21-8-9-22-18)4-5-15(11)17-12(2)19(26)25-24-13(17)3/h4-10H,3H2,1-2H3
InChIKeyMEKXWRDKJQNMKP-UHFFFAOYSA-N
XLogP4.41
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-6-methylidene-5-(2-methyl-4-pyrido[3,4-b]pyrazin-5-yloxyphenyl)pyridazin-3-one with MolForge

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Related Compounds

2-Methyl-8-pyrazin-2-yloxyquinoline
CID 2539875
US9540352, example 2
CID 134814166
US9540352, example 8
CID 134814170
US9540352, example 10
CID 134814172
US9540352, example 11
CID 134814173
US20240002380, Example 70
CID 167050226
N-[[8-[4-(trifluoromethyl)phenoxy]-1,7-naphthyridin-5-yl]methyl]prop-2-enamide
CID 129305974
N-[[8-[5-(trifluoromethyl)pyrazin-2-yl]oxyquinolin-5-yl]methyl]prop-2-enamide
CID 137379332
1-[[3-[[4-[Ethenyl-(methylideneamino)amino]-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 145481056
N-[[8-[4-(trifluoromethyl)phenoxy]-1,5-naphthyridin-4-yl]methyl]prop-2-enamide
CID 162491690
4-(4-fluorophenyl)-6-[2-[3-fluoro-4-[(7-prop-1-en-2-yl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one
CID 167575103
6-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one
CID 167587536

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-methylidene-5-(2-methyl-4-pyrido[3,4-b]pyrazin-5-yloxyphenyl)pyridazin-3-one?
The IUPAC name of 4-methyl-6-methylidene-5-(2-methyl-4-pyrido[3,4-b]pyrazin-5-yloxyphenyl)pyridazin-3-one (CID 134814171) is 4-methyl-6-methylidene-5-(2-methyl-4-pyrido[3,4-b]pyrazin-5-yloxyphenyl)pyridazin-3-one.
What is the SMILES notation for 4-methyl-6-methylidene-5-(2-methyl-4-pyrido[3,4-b]pyrazin-5-yloxyphenyl)pyridazin-3-one?
The canonical SMILES for 4-methyl-6-methylidene-5-(2-methyl-4-pyrido[3,4-b]pyrazin-5-yloxyphenyl)pyridazin-3-one is C=C1N=NC(=O)C(C)=C1c1ccc(Oc2nccc3nccnc23)cc1C.
What is the InChIKey of 4-methyl-6-methylidene-5-(2-methyl-4-pyrido[3,4-b]pyrazin-5-yloxyphenyl)pyridazin-3-one?
The InChIKey is MEKXWRDKJQNMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-11-10-14(27-20-18-16(6-7-23-20)21-8-9-22-18)4-5-15(11)17-12(2)19(26)25-24-13(17)3/h4-10H,3H2,1-2H3.
What are the key properties of 4-methyl-6-methylidene-5-(2-methyl-4-pyrido[3,4-b]pyrazin-5-yloxyphenyl)pyridazin-3-one?
4-methyl-6-methylidene-5-(2-methyl-4-pyrido[3,4-b]pyrazin-5-yloxyphenyl)pyridazin-3-one has a molecular weight of 357.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-methylidene-5-(2-methyl-4-pyrido[3,4-b]pyrazin-5-yloxyphenyl)pyridazin-3-one is sourced from PubChem (CID 134814171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).