1-(6-bromo-3-pyridinyl)-3-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-one;6-[(3R)-3-[3-[6-(dimethylamino)-3-pyridinyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide

C172H222BrFN46O9 — CID 157208911

IUPAC1-(6-bromo-3-pyridinyl)-3-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-one;6-[(3R)-3-[3-[6-(dimethylamino)-3-pyridinyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide
SMILESCN(C)c1ccc(CC(=O)C[C@H]2CCN(c3ccc(C#N)nn3)C2)cn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)C[C@@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)C[C@@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)C[C@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)C[C@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3cnc(C(C)C)c(F)c3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)nc3)CC2)nn1.Cc1ccc(N2CC[C@H](CC(=O)Cc3ccc(Br)nc3)C2)nn1
InChIInChI=1S/4C20H27N5O.C19H24FN5O.C19H22N6O.C19H25N5O.C18H24N6O.C17H19BrN4O/c4*1-14(2)18-7-6-17(12-21-18)11-20(26)24-9-10-25(16(4)13-24)19-8-5-15(3)22-23-19;1-13(2)19-16(20)10-15(12-21-19)11-18(26)25-8-6-24(7-9-25)17-5-4-14(3)22-23-17;1-24(2)18-5-3-14(12-21-18)9-17(26)10-15-7-8-25(13-15)19-6-4-16(11-20)22-23-19;1-14(2)17-6-5-16(13-20-17)12-19(25)24-10-8-23(9-11-24)18-7-4-15(3)21-22-18;1-13(2)16-6-5-15(12-19-16)20-18(25)24-10-8-23(9-11-24)17-7-4-14(3)21-22-17;1-12-2-5-17(21-20-12)22-7-6-14(11-22)9-15(23)8-13-3-4-16(18)19-10-13/h4*5-8,12,14,16H,9-11,13H2,1-4H3;4-5,10,12-13H,6-9,11H2,1-3H3;3-6,12,15H,7-10,13H2,1-2H3;4-7,13-14H,8-12H2,1-3H3;4-7,12-13H,8-11H2,1-3H3,(H,20,25);2-5,10,14H,6-9,11H2,1H3/t4*16-;;15-;;;14-/m1100.1..1/s1
InChIKeyARQYLCQFKPQORU-BIHOBZNTSA-N
MW3176.88 g/mol
LogP22.33
Rot. Bonds38

About 1-(6-bromo-3-pyridinyl)-3-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-one;6-[(3R)-3-[3-[6-(dimethylamino)-3-pyridinyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide

1-(6-bromo-3-pyridinyl)-3-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-one;6-[(3R)-3-[3-[6-(dimethylamino)-3-pyridinyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 157208911) has the molecular formula C172H222BrFN46O9 and a molecular weight of 3176.88 g/mol. Its IUPAC name is 1-(6-bromo-3-pyridinyl)-3-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-one;6-[(3R)-3-[3-[6-(dimethylamino)-3-pyridinyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name1-(6-bromo-3-pyridinyl)-3-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-one;6-[(3R)-3-[3-[6-(dimethylamino)-3-pyridinyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide
PubChem CID157208911
Molecular FormulaC172H222BrFN46O9
Molecular Weight3176.88 g/mol
Exact Mass3173.75
IUPAC Name1-(6-bromo-3-pyridinyl)-3-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-one;6-[(3R)-3-[3-[6-(dimethylamino)-3-pyridinyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide
SMILESCN(C)c1ccc(CC(=O)C[C@H]2CCN(c3ccc(C#N)nn3)C2)cn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)C[C@@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)C[C@@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)C[C@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)C[C@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3cnc(C(C)C)c(F)c3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)nc3)CC2)nn1.Cc1ccc(N2CC[C@H](CC(=O)Cc3ccc(Br)nc3)C2)nn1
InChIInChI=1S/4C20H27N5O.C19H24FN5O.C19H22N6O.C19H25N5O.C18H24N6O.C17H19BrN4O/c4*1-14(2)18-7-6-17(12-21-18)11-20(26)24-9-10-25(16(4)13-24)19-8-5-15(3)22-23-19;1-13(2)19-16(20)10-15(12-21-19)11-18(26)25-8-6-24(7-9-25)17-5-4-14(3)22-23-17;1-24(2)18-5-3-14(12-21-18)9-17(26)10-15-7-8-25(13-15)19-6-4-16(11-20)22-23-19;1-14(2)17-6-5-16(13-20-17)12-19(25)24-10-8-23(9-11-24)18-7-4-15(3)21-22-18;1-13(2)16-6-5-15(12-19-16)20-18(25)24-10-8-23(9-11-24)17-7-4-14(3)21-22-17;1-12-2-5-17(21-20-12)22-7-6-14(11-22)9-15(23)8-13-3-4-16(18)19-10-13/h4*5-8,12,14,16H,9-11,13H2,1-4H3;4-5,10,12-13H,6-9,11H2,1-3H3;3-6,12,15H,7-10,13H2,1-2H3;4-7,13-14H,8-12H2,1-3H3;4-7,12-13H,8-11H2,1-3H3,(H,20,25);2-5,10,14H,6-9,11H2,1H3/t4*16-;;15-;;;14-/m1100.1..1/s1
InChIKeyARQYLCQFKPQORU-BIHOBZNTSA-N
XLogP22.33
TPSA592.56 Ų
H-Bond Donors1
H-Bond Acceptors47
Rotatable Bonds38
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003176.88
LogP ≤ 522.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(6-bromo-3-pyridinyl)-3-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-one;6-[(3R)-3-[3-[6-(dimethylamino)-3-pyridinyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-[(2R)-2-methyl-4-[2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 158263473
6-[3-[3-(3-fluoro-4-propan-2-ylphenyl)-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425953
6-[(2R)-4-[2-[3-fluoro-4-(1-fluorocyclopropyl)phenyl]acetyl]-2-methylpiperazin-1-yl]pyridazine-3-carbonitrile
CID 142616933
6-[3-[3-[4-(1-aminopropan-2-yl)phenyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145426005
6-[4-[2-[2-(diethylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 155161856
6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 155161855
4-(5-cyanopyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;5-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 158236211
(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 158783595
2-(6-bromo-3-pyridinyl)acetamide;6-pyrrolidin-1-ylpyridazine-3-carbonitrile
CID 145426002
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone
CID 157200827
6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 139547804
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]ethanone
CID 160987829

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-pyridinyl)-3-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-one;6-[(3R)-3-[3-[6-(dimethylamino)-3-pyridinyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 1-(6-bromo-3-pyridinyl)-3-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-one;6-[(3R)-3-[3-[6-(dimethylamino)-3-pyridinyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide (CID 157208911) is 1-(6-bromo-3-pyridinyl)-3-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-one;6-[(3R)-3-[3-[6-(dimethylamino)-3-pyridinyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 1-(6-bromo-3-pyridinyl)-3-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-one;6-[(3R)-3-[3-[6-(dimethylamino)-3-pyridinyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 1-(6-bromo-3-pyridinyl)-3-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-one;6-[(3R)-3-[3-[6-(dimethylamino)-3-pyridinyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide is CN(C)c1ccc(CC(=O)C[C@H]2CCN(c3ccc(C#N)nn3)C2)cn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)C[C@@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)C[C@@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)C[C@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)C[C@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3cnc(C(C)C)c(F)c3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)nc3)CC2)nn1.Cc1ccc(N2CC[C@H](CC(=O)Cc3ccc(Br)nc3)C2)nn1.
What is the InChIKey of 1-(6-bromo-3-pyridinyl)-3-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-one;6-[(3R)-3-[3-[6-(dimethylamino)-3-pyridinyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is ARQYLCQFKPQORU-BIHOBZNTSA-N. The full InChI is InChI=1S/4C20H27N5O.C19H24FN5O.C19H22N6O.C19H25N5O.C18H24N6O.C17H19BrN4O/c4*1-14(2)18-7-6-17(12-21-18)11-20(26)24-9-10-25(16(4)13-24)19-8-5-15(3)22-23-19;1-13(2)19-16(20)10-15(12-21-19)11-18(26)25-8-6-24(7-9-25)17-5-4-14(3)22-23-17;1-24(2)18-5-3-14(12-21-18)9-17(26)10-15-7-8-25(13-15)19-6-4-16(11-20)22-23-19;1-14(2)17-6-5-16(13-20-17)12-19(25)24-10-8-23(9-11-24)18-7-4-15(3)21-22-18;1-13(2)16-6-5-15(12-19-16)20-18(25)24-10-8-23(9-11-24)17-7-4-14(3)21-22-17;1-12-2-5-17(21-20-12)22-7-6-14(11-22)9-15(23)8-13-3-4-16(18)19-10-13/h4*5-8,12,14,16H,9-11,13H2,1-4H3;4-5,10,12-13H,6-9,11H2,1-3H3;3-6,12,15H,7-10,13H2,1-2H3;4-7,13-14H,8-12H2,1-3H3;4-7,12-13H,8-11H2,1-3H3,(H,20,25);2-5,10,14H,6-9,11H2,1H3/t4*16-;;15-;;;14-/m1100.1..1/s1.
What are the key properties of 1-(6-bromo-3-pyridinyl)-3-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-one;6-[(3R)-3-[3-[6-(dimethylamino)-3-pyridinyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide?
1-(6-bromo-3-pyridinyl)-3-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-one;6-[(3R)-3-[3-[6-(dimethylamino)-3-pyridinyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 3176.88 g/mol, XLogP of 22.33, 38 rotatable bonds, 1 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-pyridinyl)-3-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-one;6-[(3R)-3-[3-[6-(dimethylamino)-3-pyridinyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 157208911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).