3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;3-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;bis(3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine);methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;(2S)-1-methylpyrrolidine-2-carboxylic acid;phosphoryl trichloride;sulfane

C103H106BCl8F6N28O9PS2 — CID 159946505

About 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;3-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;bis(3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine);methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;(2S)-1-methylpyrrolidine-2-carboxylic acid;phosphoryl trichloride;sulfane

3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;3-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;bis(3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine);methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;(2S)-1-methylpyrrolidine-2-carboxylic acid;phosphoryl trichloride;sulfane (PubChem CID 159946505) has the molecular formula C103H106BCl8F6N28O9PS2 and a molecular weight of 2383.70 g/mol. Its IUPAC name is 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;3-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;bis(3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine);methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;(2S)-1-methylpyrrolidine-2-carboxylic acid;phosphoryl trichloride;sulfane.

Molecular Properties

• Compound Name: 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;3-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;bis(3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine);methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;(2S)-1-methylpyrrolidine-2-carboxylic acid;phosphoryl trichloride;sulfane
• PubChem CID: 159946505
• Molecular Formula: C103H106BCl8F6N28O9PS2
• Molecular Weight: 2383.70 g/mol
• Exact Mass: 2378.54
• IUPAC Name: 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;3-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;bis(3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine);methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;(2S)-1-methylpyrrolidine-2-carboxylic acid;phosphoryl trichloride;sulfane
• SMILES: CN1CCC[C@H]1C(=O)CCc1nc(Cl)c(-c2ccc(F)cc2)nc1N.CN1CCC[C@H]1C(=O)O.COC(=O)c1nc(Cl)c(-c2ccc(F)cc2)nc1N.Cc1cnc2ccc(-c3nc(CCC(=O)[C@@H]4CCCN4C)c(N)nc3-c3ccc(F)cc3)cn12.Cc1cnc2ccc(B(O)O)cn12.N#Cc1nc(Cl)c(-c2ccc(F)cc2)nc1N.NCc1nc(Cl)c(-c2ccc(F)cc2)nc1N.NCc1nc(Cl)c(-c2ccc(F)cc2)nc1N.O=P(Cl)(Cl)Cl.S.S
• InChI: InChI=1S/C26H27FN6O.C18H20ClFN4O.C12H9ClFN3O2.2C11H10ClFN4.C11H6ClFN4.C8H9BN2O2.C6H11NO2.Cl3OP.2H2S/c1-16-14-29-23-12-7-18(15-33(16)23)25-24(17-5-8-19(27)9-6-17)31-26(28)20(30-25)10-11-22(34)21-4-3-13-32(21)2;1-24-10-2-3-14(24)15(25)9-8-13-18(21)23-16(17(19)22-13)11-4-6-12(20)7-5-11;1-19-12(18)9-11(15)17-8(10(13)16-9)6-2-4-7(14)5-3-6;3*12-10-9(6-1-3-7(13)4-2-6)17-11(15)8(5-14)16-10;1-6-4-10-8-3-2-7(9(12)13)5-11(6)8;1-7-4-2-3-5(7)6(8)9;1-5(2,3)4;;/h5-9,12,14-15,21H,3-4,10-11,13H2,1-2H3,(H2,28,31);4-7,14H,2-3,8-10H2,1H3,(H2,21,23);2-5H,1H3,(H2,15,17);2*1-4H,5,14H2,(H2,15,17);1-4H,(H2,15,17);2-5,12-13H,1H3;5H,2-4H2,1H3,(H,8,9);;2*1H2/t21-;14-;;;;;;5-;;;/m00.....0.../s1
• InChIKey: OBOBUWSPHLYKNZ-HVHFVFQKSA-N
• XLogP: 18.37
• TPSA: 586.22 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 36
• Rotatable Bonds: 20
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2383.70
LogP ≤ 5	18.37
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;3-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;bis(3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine);methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;(2S)-1-methylpyrrolidine-2-carboxylic acid;phosphoryl trichloride;sulfane?

The IUPAC name of 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;3-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;bis(3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine);methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;(2S)-1-methylpyrrolidine-2-carboxylic acid;phosphoryl trichloride;sulfane (CID 159946505) is 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;3-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;bis(3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine);methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;(2S)-1-methylpyrrolidine-2-carboxylic acid;phosphoryl trichloride;sulfane.

What is the SMILES notation for 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;3-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;bis(3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine);methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;(2S)-1-methylpyrrolidine-2-carboxylic acid;phosphoryl trichloride;sulfane?

The canonical SMILES for 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;3-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;bis(3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine);methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;(2S)-1-methylpyrrolidine-2-carboxylic acid;phosphoryl trichloride;sulfane is CN1CCC[C@H]1C(=O)CCc1nc(Cl)c(-c2ccc(F)cc2)nc1N.CN1CCC[C@H]1C(=O)O.COC(=O)c1nc(Cl)c(-c2ccc(F)cc2)nc1N.Cc1cnc2ccc(-c3nc(CCC(=O)[C@@H]4CCCN4C)c(N)nc3-c3ccc(F)cc3)cn12.Cc1cnc2ccc(B(O)O)cn12.N#Cc1nc(Cl)c(-c2ccc(F)cc2)nc1N.NCc1nc(Cl)c(-c2ccc(F)cc2)nc1N.NCc1nc(Cl)c(-c2ccc(F)cc2)nc1N.O=P(Cl)(Cl)Cl.S.S.

What is the InChIKey of 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;3-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;bis(3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine);methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;(2S)-1-methylpyrrolidine-2-carboxylic acid;phosphoryl trichloride;sulfane?

The InChIKey is OBOBUWSPHLYKNZ-HVHFVFQKSA-N. The full InChI is InChI=1S/C26H27FN6O.C18H20ClFN4O.C12H9ClFN3O2.2C11H10ClFN4.C11H6ClFN4.C8H9BN2O2.C6H11NO2.Cl3OP.2H2S/c1-16-14-29-23-12-7-18(15-33(16)23)25-24(17-5-8-19(27)9-6-17)31-26(28)20(30-25)10-11-22(34)21-4-3-13-32(21)2;1-24-10-2-3-14(24)15(25)9-8-13-18(21)23-16(17(19)22-13)11-4-6-12(20)7-5-11;1-19-12(18)9-11(15)17-8(10(13)16-9)6-2-4-7(14)5-3-6;3*12-10-9(6-1-3-7(13)4-2-6)17-11(15)8(5-14)16-10;1-6-4-10-8-3-2-7(9(12)13)5-11(6)8;1-7-4-2-3-5(7)6(8)9;1-5(2,3)4;;/h5-9,12,14-15,21H,3-4,10-11,13H2,1-2H3,(H2,28,31);4-7,14H,2-3,8-10H2,1H3,(H2,21,23);2-5H,1H3,(H2,15,17);2*1-4H,5,14H2,(H2,15,17);1-4H,(H2,15,17);2-5,12-13H,1H3;5H,2-4H2,1H3,(H,8,9);;2*1H2/t21-;14-;;;;;;5-;;;/m00.....0.../s1.

What are the key properties of 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;3-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;bis(3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine);methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;(2S)-1-methylpyrrolidine-2-carboxylic acid;phosphoryl trichloride;sulfane?

3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;3-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;bis(3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine);methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;(2S)-1-methylpyrrolidine-2-carboxylic acid;phosphoryl trichloride;sulfane has a molecular weight of 2383.70 g/mol, XLogP of 18.37, 20 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;3-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one;bis(3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine);methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;(2S)-1-methylpyrrolidine-2-carboxylic acid;phosphoryl trichloride;sulfane is sourced from PubChem (CID 159946505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).