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

C56H75F2N11O10 — CID 167639403

IUPAC6-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
SMILESC.C.CC(C)(C)O.CC1=NN(C)C(=O)CC1.CN1N=C(C(=O)O)CCC1=O.CN1N=C(CC(=O)c2ccc(Cc3cccc(F)c3)cn2)CCC1=O.CN1N=C(N)CCC1=O.COC(=O)c1ccc(Cc2cccc(F)c2)cn1
InChIInChI=1S/C19H18FN3O2.C14H12FNO2.C6H8N2O3.C6H10N2O.C5H9N3O.C4H10O.2CH4/c1-23-19(25)8-6-16(22-23)11-18(24)17-7-5-14(12-21-17)9-13-3-2-4-15(20)10-13;1-18-14(17)13-6-5-11(9-16-13)7-10-3-2-4-12(15)8-10;1-8-5(9)3-2-4(7-8)6(10)11;1-5-3-4-6(9)8(2)7-5;1-8-5(9)3-2-4(6)7-8;1-4(2,3)5;;/h2-5,7,10,12H,6,8-9,11H2,1H3;2-6,8-9H,7H2,1H3;2-3H2,1H3,(H,10,11);3-4H2,1-2H3;2-3H2,1H3,(H2,6,7);5H,1-3H3;2*1H4
InChIKeyOYHIMZDOAQUDSP-UHFFFAOYSA-N
MW1100.28 g/mol
LogP7.44
Rot. Bonds9

About 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

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 (PubChem CID 167639403) has the molecular formula C56H75F2N11O10 and a molecular weight of 1100.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID167639403
Molecular FormulaC56H75F2N11O10
Molecular Weight1100.28 g/mol
Exact Mass1099.57
IUPAC Name6-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
SMILESC.C.CC(C)(C)O.CC1=NN(C)C(=O)CC1.CN1N=C(C(=O)O)CCC1=O.CN1N=C(CC(=O)c2ccc(Cc3cccc(F)c3)cn2)CCC1=O.CN1N=C(N)CCC1=O.COC(=O)c1ccc(Cc2cccc(F)c2)cn1
InChIInChI=1S/C19H18FN3O2.C14H12FNO2.C6H8N2O3.C6H10N2O.C5H9N3O.C4H10O.2CH4/c1-23-19(25)8-6-16(22-23)11-18(24)17-7-5-14(12-21-17)9-13-3-2-4-15(20)10-13;1-18-14(17)13-6-5-11(9-16-13)7-10-3-2-4-12(15)8-10;1-8-5(9)3-2-4(7-8)6(10)11;1-5-3-4-6(9)8(2)7-5;1-8-5(9)3-2-4(6)7-8;1-4(2,3)5;;/h2-5,7,10,12H,6,8-9,11H2,1H3;2-6,8-9H,7H2,1H3;2-3H2,1H3,(H,10,11);3-4H2,1-2H3;2-3H2,1H3,(H2,6,7);5H,1-3H3;2*1H4
InChIKeyOYHIMZDOAQUDSP-UHFFFAOYSA-N
XLogP7.44
TPSA283.38 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001100.28
LogP ≤ 57.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

4-[4-Acetyl-1-ethyl-6-oxo-5-(pyridin-3-ylamino)pyridazin-3-yl]benzoic acid;methyl 4-[4-acetyl-1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxopyridazin-3-yl]benzoate
CID 69595249
4-Amino-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one;5-[(3-fluorophenyl)methyl]pyridine-2-carboxylic acid;4-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;hydrazine;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;hydrate
CID 167562251
6-Amino-2-methyl-4,5-dihydropyridazin-3-one;4-(bromomethyl)-1,2-difluorobenzene;6-[2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methyl-4,5-dihydropyridazin-3-one;methane;methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
CID 167604974
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
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
6-Amino-2-methylpyridazin-3-one;6-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;methane;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate
CID 167697965

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.CC(C)(C)O.CC1=NN(C)C(=O)CC1.CN1N=C(C(=O)O)CCC1=O.CN1N=C(CC(=O)c2ccc(Cc3cccc(F)c3)cn2)CCC1=O.CN1N=C(N)CCC1=O.COC(=O)c1ccc(Cc2cccc(F)c2)cn1.
What is the InChIKey of 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?
The InChIKey is OYHIMZDOAQUDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2.C14H12FNO2.C6H8N2O3.C6H10N2O.C5H9N3O.C4H10O.2CH4/c1-23-19(25)8-6-16(22-23)11-18(24)17-7-5-14(12-21-17)9-13-3-2-4-15(20)10-13;1-18-14(17)13-6-5-11(9-16-13)7-10-3-2-4-12(15)8-10;1-8-5(9)3-2-4(7-8)6(10)11;1-5-3-4-6(9)8(2)7-5;1-8-5(9)3-2-4(6)7-8;1-4(2,3)5;;/h2-5,7,10,12H,6,8-9,11H2,1H3;2-6,8-9H,7H2,1H3;2-3H2,1H3,(H,10,11);3-4H2,1-2H3;2-3H2,1H3,(H2,6,7);5H,1-3H3;2*1H4.
What are the key properties of 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?
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 has a molecular weight of 1100.28 g/mol, XLogP of 7.44, 9 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167639403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).