6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methane;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one

C32H26N8O2 — CID 158364846

IUPAC6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methane;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one
SMILESC.O=c1[nH]nc(-c2ccccn2)c2ncccc12.O=c1c2cccnc2c(-c2ccccn2)nn1Cc1ccccc1
InChIInChI=1S/C19H14N4O.C12H8N4O.CH4/c24-19-15-9-6-12-21-17(15)18(16-10-4-5-11-20-16)22-23(19)13-14-7-2-1-3-8-14;17-12-8-4-3-7-14-10(8)11(15-16-12)9-5-1-2-6-13-9;/h1-12H,13H2;1-7H,(H,16,17);1H4
InChIKeyGTXHLWVOKJOBHA-UHFFFAOYSA-N
MW554.61 g/mol
LogP4.92
Rot. Bonds4

About 6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methane;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one

6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methane;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 158364846) has the molecular formula C32H26N8O2 and a molecular weight of 554.61 g/mol. Its IUPAC name is 6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methane;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methane;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one
PubChem CID158364846
Molecular FormulaC32H26N8O2
Molecular Weight554.61 g/mol
Exact Mass554.22
IUPAC Name6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methane;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one
SMILESC.O=c1[nH]nc(-c2ccccn2)c2ncccc12.O=c1c2cccnc2c(-c2ccccn2)nn1Cc1ccccc1
InChIInChI=1S/C19H14N4O.C12H8N4O.CH4/c24-19-15-9-6-12-21-17(15)18(16-10-4-5-11-20-16)22-23(19)13-14-7-2-1-3-8-14;17-12-8-4-3-7-14-10(8)11(15-16-12)9-5-1-2-6-13-9;/h1-12H,13H2;1-7H,(H,16,17);1H4
InChIKeyGTXHLWVOKJOBHA-UHFFFAOYSA-N
XLogP4.92
TPSA132.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.61
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methane;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one with MolForge

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Related Compounds

7-benzyl-5-(2-methoxyphenyl)pyrido[2,3-d]pyridazin-8-one
CID 67836611
2-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
CID 11587983
4-phenyl-2-(pyridin-3-ylmethyl)phthalazin-1-one
CID 166185401
1-benzyl-3-chloropyrazolo[5,4-b]pyridine
CID 12597363
2-(1-benzylpyrazol-3-yl)pyridine
CID 71374413
5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one
CID 118724594
4-[3-(aminomethyl)phenyl]-2-benzylphthalazin-1-one;hydrochloride
CID 157040231
1-benzyl-3-pyridin-2-ylpyrazol-4-amine
CID 83216358
5-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
CID 67113899
2-(1-benzyltetrazol-5-yl)pyridine
CID 86063303
5-(3-chlorophenyl)-7-[(1-oxidopyridin-1-ium-4-yl)methyl]pyrido[2,3-d]pyridazin-8-one
CID 19700967
N,N-diethyl-4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzamide
CID 162534278

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methane;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methane;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one (CID 158364846) is 6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methane;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methane;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methane;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one is C.O=c1[nH]nc(-c2ccccn2)c2ncccc12.O=c1c2cccnc2c(-c2ccccn2)nn1Cc1ccccc1.
What is the InChIKey of 6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methane;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is GTXHLWVOKJOBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O.C12H8N4O.CH4/c24-19-15-9-6-12-21-17(15)18(16-10-4-5-11-20-16)22-23(19)13-14-7-2-1-3-8-14;17-12-8-4-3-7-14-10(8)11(15-16-12)9-5-1-2-6-13-9;/h1-12H,13H2;1-7H,(H,16,17);1H4.
What are the key properties of 6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methane;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one?
6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methane;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 554.61 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methane;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 158364846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).