1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(6-methylpyridazin-3-yl)ethanone;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;6-methylpyridazin-3-amine

C39H39F2N7O3 — CID 167640383

IUPAC1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(6-methylpyridazin-3-yl)ethanone;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;6-methylpyridazin-3-amine
SMILESC.COC(=O)c1ccc(Cc2cccc(F)c2)cn1.Cc1ccc(CC(=O)c2ccc(Cc3cccc(F)c3)cn2)nn1.Cc1ccc(N)nn1
InChIInChI=1S/C19H16FN3O.C14H12FNO2.C5H7N3.CH4/c1-13-5-7-17(23-22-13)11-19(24)18-8-6-15(12-21-18)9-14-3-2-4-16(20)10-14;1-18-14(17)13-6-5-11(9-16-13)7-10-3-2-4-12(15)8-10;1-4-2-3-5(6)8-7-4;/h2-8,10,12H,9,11H2,1H3;2-6,8-9H,7H2,1H3;2-3H,1H3,(H2,6,8);1H4
InChIKeyPBWYYECBHUXWEA-UHFFFAOYSA-N
MW691.78 g/mol
LogP6.94
Rot. Bonds8

About 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(6-methylpyridazin-3-yl)ethanone;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;6-methylpyridazin-3-amine

1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(6-methylpyridazin-3-yl)ethanone;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;6-methylpyridazin-3-amine (PubChem CID 167640383) has the molecular formula C39H39F2N7O3 and a molecular weight of 691.78 g/mol. Its IUPAC name is 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(6-methylpyridazin-3-yl)ethanone;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;6-methylpyridazin-3-amine.

Molecular Properties

Compound Name1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(6-methylpyridazin-3-yl)ethanone;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;6-methylpyridazin-3-amine
PubChem CID167640383
Molecular FormulaC39H39F2N7O3
Molecular Weight691.78 g/mol
Exact Mass691.31
IUPAC Name1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(6-methylpyridazin-3-yl)ethanone;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;6-methylpyridazin-3-amine
SMILESC.COC(=O)c1ccc(Cc2cccc(F)c2)cn1.Cc1ccc(CC(=O)c2ccc(Cc3cccc(F)c3)cn2)nn1.Cc1ccc(N)nn1
InChIInChI=1S/C19H16FN3O.C14H12FNO2.C5H7N3.CH4/c1-13-5-7-17(23-22-13)11-19(24)18-8-6-15(12-21-18)9-14-3-2-4-16(20)10-14;1-18-14(17)13-6-5-11(9-16-13)7-10-3-2-4-12(15)8-10;1-4-2-3-5(6)8-7-4;/h2-8,10,12H,9,11H2,1H3;2-6,8-9H,7H2,1H3;2-3H,1H3,(H2,6,8);1H4
InChIKeyPBWYYECBHUXWEA-UHFFFAOYSA-N
XLogP6.94
TPSA146.73 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.78
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(6-methylpyridazin-3-yl)ethanone;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;6-methylpyridazin-3-amine with MolForge

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Related Compounds

Methyl 3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyridine-2-carboxylate
CID 67452809
3-[6-[[1-(3-Fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyridine-2-carboxamide;methyl 3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyridine-2-carboxylate
CID 67452807
Methyl 3-amino-6-(5-fluoro-3-pyridinyl)pyridine-2-carboxylate;methyl 3-(benzhydrylideneamino)-6-(5-fluoro-3-pyridinyl)pyridine-2-carboxylate
CID 158798002
6-Amino-2-methylpyridazin-3-one;6-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate
CID 167632645
6-Amino-2-methyl-4,5-dihydropyridazin-3-one;2,6-dimethyl-4,5-dihydropyridazin-3-one;6-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methyl-4,5-dihydropyridazin-3-one;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;2-methylpropan-2-ol
CID 167639403
1-[5-[(3-Fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;2-methylpyrimidin-4-amine
CID 167696692

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(6-methylpyridazin-3-yl)ethanone;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;6-methylpyridazin-3-amine?
The IUPAC name of 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(6-methylpyridazin-3-yl)ethanone;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;6-methylpyridazin-3-amine (CID 167640383) is 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(6-methylpyridazin-3-yl)ethanone;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;6-methylpyridazin-3-amine.
What is the SMILES notation for 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(6-methylpyridazin-3-yl)ethanone;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;6-methylpyridazin-3-amine?
The canonical SMILES for 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(6-methylpyridazin-3-yl)ethanone;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;6-methylpyridazin-3-amine is C.COC(=O)c1ccc(Cc2cccc(F)c2)cn1.Cc1ccc(CC(=O)c2ccc(Cc3cccc(F)c3)cn2)nn1.Cc1ccc(N)nn1.
What is the InChIKey of 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(6-methylpyridazin-3-yl)ethanone;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;6-methylpyridazin-3-amine?
The InChIKey is PBWYYECBHUXWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O.C14H12FNO2.C5H7N3.CH4/c1-13-5-7-17(23-22-13)11-19(24)18-8-6-15(12-21-18)9-14-3-2-4-16(20)10-14;1-18-14(17)13-6-5-11(9-16-13)7-10-3-2-4-12(15)8-10;1-4-2-3-5(6)8-7-4;/h2-8,10,12H,9,11H2,1H3;2-6,8-9H,7H2,1H3;2-3H,1H3,(H2,6,8);1H4.
What are the key properties of 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(6-methylpyridazin-3-yl)ethanone;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;6-methylpyridazin-3-amine?
1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(6-methylpyridazin-3-yl)ethanone;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;6-methylpyridazin-3-amine has a molecular weight of 691.78 g/mol, XLogP of 6.94, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(6-methylpyridazin-3-yl)ethanone;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;6-methylpyridazin-3-amine is sourced from PubChem (CID 167640383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).