6-bromo-3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;bis(5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-N,3-dimethyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-amine);N-[5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-yl]-1,1,1-trifluoro-N-methylmethanesulfonamide;3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;[3-methyl-6-(methylamino)-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;[3-methyl-6-[methyl(trifluoromethylsulfonyl)amino]-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;3-methyl-1-pentan-3-ylpyrazole-4,5-diamine;3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one

C140H207BrF12N48O13S4 — CID 158115124

About 6-bromo-3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;bis(5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-N,3-dimethyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-amine);N-[5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-yl]-1,1,1-trifluoro-N-methylmethanesulfonamide;3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;[3-methyl-6-(methylamino)-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;[3-methyl-6-[methyl(trifluoromethylsulfonyl)amino]-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;3-methyl-1-pentan-3-ylpyrazole-4,5-diamine;3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one

6-bromo-3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;bis(5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-N,3-dimethyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-amine);N-[5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-yl]-1,1,1-trifluoro-N-methylmethanesulfonamide;3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;[3-methyl-6-(methylamino)-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;[3-methyl-6-[methyl(trifluoromethylsulfonyl)amino]-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;3-methyl-1-pentan-3-ylpyrazole-4,5-diamine;3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one (PubChem CID 158115124) has the molecular formula C140H207BrF12N48O13S4 and a molecular weight of 3206.67 g/mol. Its IUPAC name is 6-bromo-3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;bis(5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-N,3-dimethyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-amine);N-[5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-yl]-1,1,1-trifluoro-N-methylmethanesulfonamide;3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;[3-methyl-6-(methylamino)-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;[3-methyl-6-[methyl(trifluoromethylsulfonyl)amino]-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;3-methyl-1-pentan-3-ylpyrazole-4,5-diamine;3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one.

Molecular Properties

• Compound Name: 6-bromo-3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;bis(5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-N,3-dimethyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-amine);N-[5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-yl]-1,1,1-trifluoro-N-methylmethanesulfonamide;3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;[3-methyl-6-(methylamino)-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;[3-methyl-6-[methyl(trifluoromethylsulfonyl)amino]-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;3-methyl-1-pentan-3-ylpyrazole-4,5-diamine;3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one
• PubChem CID: 158115124
• Molecular Formula: C140H207BrF12N48O13S4
• Molecular Weight: 3206.67 g/mol
• Exact Mass: 3203.49
• IUPAC Name: 6-bromo-3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;bis(5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-N,3-dimethyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-amine);N-[5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-yl]-1,1,1-trifluoro-N-methylmethanesulfonamide;3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;[3-methyl-6-(methylamino)-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;[3-methyl-6-[methyl(trifluoromethylsulfonyl)amino]-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;3-methyl-1-pentan-3-ylpyrazole-4,5-diamine;3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one
• SMILES: CCC(CC)n1nc(C)c(N)c1N.CCC(CC)n1nc(C)c2[nH]c(=O)c(Br)nc21.CCC(CC)n1nc(C)c2[nH]c(=O)c(NC)nc21.CCC(CC)n1nc(C)c2[nH]c(=O)cnc21.CCC(CC)n1nc(C)c2nc(OS(=O)(=O)C(F)(F)F)c(N(C)S(=O)(=O)C(F)(F)F)nc21.CCC(CC)n1nc(C)c2nc(OS(=O)(=O)C(F)(F)F)c(NC)nc21.CCc1cc(N(CC)CC)ncc1-c1nc2c(C)nn(C(CC)CC)c2nc1N(C)S(=O)(=O)C(F)(F)F.CCc1cc(N(CC)CC)ncc1-c1nc2c(C)nn(C(CC)CC)c2nc1NC.CCc1cc(N(CC)CC)ncc1-c1nc2c(C)nn(C(CC)CC)c2nc1NC
• InChI: InChI=1S/C24H34F3N7O2S.2C23H35N7.C14H17F6N5O5S2.C13H18F3N5O3S.C12H19N5O.C11H15BrN4O.C11H16N4O.C9H18N4/c1-8-16-13-19(33(11-4)12-5)28-14-18(16)21-22(32(7)37(35,36)24(25,26)27)30-23-20(29-21)15(6)31-34(23)17(9-2)10-3;2*1-8-16-13-19(29(11-4)12-5)25-14-18(16)21-22(24-7)27-23-20(26-21)15(6)28-30(23)17(9-2)10-3;1-5-8(6-2)25-10-9(7(3)23-25)21-12(30-32(28,29)14(18,19)20)11(22-10)24(4)31(26,27)13(15,16)17;1-5-8(6-2)21-11-9(7(3)20-21)18-12(10(17-4)19-11)24-25(22,23)13(14,15)16;1-5-8(6-2)17-11-9(7(3)16-17)14-12(18)10(13-4)15-11;1-4-7(5-2)16-10-8(6(3)15-16)13-11(17)9(12)14-10;1-4-8(5-2)15-11-10(7(3)14-15)13-9(16)6-12-11;1-4-7(5-2)13-9(11)8(10)6(3)12-13/h13-14,17H,8-12H2,1-7H3;2*13-14,17H,8-12H2,1-7H3,(H,24,27);8H,5-6H2,1-4H3;8H,5-6H2,1-4H3,(H,17,19);8H,5-6H2,1-4H3,(H,13,15)(H,14,18);7H,4-5H2,1-3H3,(H,13,17);6,8H,4-5H2,1-3H3,(H,13,16);7H,4-5,10-11H2,1-3H3
• InChIKey: FQXDLLNIZJPYEM-UHFFFAOYSA-N
• XLogP: 28.93
• TPSA: 736.58 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 56
• Rotatable Bonds: 54
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3206.67
LogP ≤ 5	28.93
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;bis(5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-N,3-dimethyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-amine);N-[5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-yl]-1,1,1-trifluoro-N-methylmethanesulfonamide;3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;[3-methyl-6-(methylamino)-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;[3-methyl-6-[methyl(trifluoromethylsulfonyl)amino]-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;3-methyl-1-pentan-3-ylpyrazole-4,5-diamine;3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one?

The IUPAC name of 6-bromo-3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;bis(5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-N,3-dimethyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-amine);N-[5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-yl]-1,1,1-trifluoro-N-methylmethanesulfonamide;3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;[3-methyl-6-(methylamino)-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;[3-methyl-6-[methyl(trifluoromethylsulfonyl)amino]-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;3-methyl-1-pentan-3-ylpyrazole-4,5-diamine;3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one (CID 158115124) is 6-bromo-3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;bis(5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-N,3-dimethyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-amine);N-[5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-yl]-1,1,1-trifluoro-N-methylmethanesulfonamide;3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;[3-methyl-6-(methylamino)-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;[3-methyl-6-[methyl(trifluoromethylsulfonyl)amino]-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;3-methyl-1-pentan-3-ylpyrazole-4,5-diamine;3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one.

What is the SMILES notation for 6-bromo-3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;bis(5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-N,3-dimethyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-amine);N-[5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-yl]-1,1,1-trifluoro-N-methylmethanesulfonamide;3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;[3-methyl-6-(methylamino)-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;[3-methyl-6-[methyl(trifluoromethylsulfonyl)amino]-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;3-methyl-1-pentan-3-ylpyrazole-4,5-diamine;3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one?

The canonical SMILES for 6-bromo-3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;bis(5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-N,3-dimethyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-amine);N-[5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-yl]-1,1,1-trifluoro-N-methylmethanesulfonamide;3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;[3-methyl-6-(methylamino)-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;[3-methyl-6-[methyl(trifluoromethylsulfonyl)amino]-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;3-methyl-1-pentan-3-ylpyrazole-4,5-diamine;3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one is CCC(CC)n1nc(C)c(N)c1N.CCC(CC)n1nc(C)c2[nH]c(=O)c(Br)nc21.CCC(CC)n1nc(C)c2[nH]c(=O)c(NC)nc21.CCC(CC)n1nc(C)c2[nH]c(=O)cnc21.CCC(CC)n1nc(C)c2nc(OS(=O)(=O)C(F)(F)F)c(N(C)S(=O)(=O)C(F)(F)F)nc21.CCC(CC)n1nc(C)c2nc(OS(=O)(=O)C(F)(F)F)c(NC)nc21.CCc1cc(N(CC)CC)ncc1-c1nc2c(C)nn(C(CC)CC)c2nc1N(C)S(=O)(=O)C(F)(F)F.CCc1cc(N(CC)CC)ncc1-c1nc2c(C)nn(C(CC)CC)c2nc1NC.CCc1cc(N(CC)CC)ncc1-c1nc2c(C)nn(C(CC)CC)c2nc1NC.

What is the InChIKey of 6-bromo-3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;bis(5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-N,3-dimethyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-amine);N-[5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-yl]-1,1,1-trifluoro-N-methylmethanesulfonamide;3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;[3-methyl-6-(methylamino)-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;[3-methyl-6-[methyl(trifluoromethylsulfonyl)amino]-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;3-methyl-1-pentan-3-ylpyrazole-4,5-diamine;3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one?

The InChIKey is FQXDLLNIZJPYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3N7O2S.2C23H35N7.C14H17F6N5O5S2.C13H18F3N5O3S.C12H19N5O.C11H15BrN4O.C11H16N4O.C9H18N4/c1-8-16-13-19(33(11-4)12-5)28-14-18(16)21-22(32(7)37(35,36)24(25,26)27)30-23-20(29-21)15(6)31-34(23)17(9-2)10-3;2*1-8-16-13-19(29(11-4)12-5)25-14-18(16)21-22(24-7)27-23-20(26-21)15(6)28-30(23)17(9-2)10-3;1-5-8(6-2)25-10-9(7(3)23-25)21-12(30-32(28,29)14(18,19)20)11(22-10)24(4)31(26,27)13(15,16)17;1-5-8(6-2)21-11-9(7(3)20-21)18-12(10(17-4)19-11)24-25(22,23)13(14,15)16;1-5-8(6-2)17-11-9(7(3)16-17)14-12(18)10(13-4)15-11;1-4-7(5-2)16-10-8(6(3)15-16)13-11(17)9(12)14-10;1-4-8(5-2)15-11-10(7(3)14-15)13-9(16)6-12-11;1-4-7(5-2)13-9(11)8(10)6(3)12-13/h13-14,17H,8-12H2,1-7H3;2*13-14,17H,8-12H2,1-7H3,(H,24,27);8H,5-6H2,1-4H3;8H,5-6H2,1-4H3,(H,17,19);8H,5-6H2,1-4H3,(H,13,15)(H,14,18);7H,4-5H2,1-3H3,(H,13,17);6,8H,4-5H2,1-3H3,(H,13,16);7H,4-5,10-11H2,1-3H3.

What are the key properties of 6-bromo-3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;bis(5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-N,3-dimethyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-amine);N-[5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-yl]-1,1,1-trifluoro-N-methylmethanesulfonamide;3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;[3-methyl-6-(methylamino)-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;[3-methyl-6-[methyl(trifluoromethylsulfonyl)amino]-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;3-methyl-1-pentan-3-ylpyrazole-4,5-diamine;3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one?

6-bromo-3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;bis(5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-N,3-dimethyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-amine);N-[5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-yl]-1,1,1-trifluoro-N-methylmethanesulfonamide;3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;[3-methyl-6-(methylamino)-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;[3-methyl-6-[methyl(trifluoromethylsulfonyl)amino]-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;3-methyl-1-pentan-3-ylpyrazole-4,5-diamine;3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one has a molecular weight of 3206.67 g/mol, XLogP of 28.93, 54 rotatable bonds, 9 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;bis(5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-N,3-dimethyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-amine);N-[5-[6-(diethylamino)-4-ethyl-3-pyridinyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-6-yl]-1,1,1-trifluoro-N-methylmethanesulfonamide;3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one;[3-methyl-6-(methylamino)-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;[3-methyl-6-[methyl(trifluoromethylsulfonyl)amino]-1-pentan-3-ylpyrazolo[4,5-b]pyrazin-5-yl] trifluoromethanesulfonate;3-methyl-1-pentan-3-ylpyrazole-4,5-diamine;3-methyl-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one is sourced from PubChem (CID 158115124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).