1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]methanol;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine

C156H159N51O3 — CID 158068275

About 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]methanol;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine

1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]methanol;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine (PubChem CID 158068275) has the molecular formula C156H159N51O3 and a molecular weight of 2796.34 g/mol. Its IUPAC name is 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]methanol;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine.

Molecular Properties

• Compound Name: 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]methanol;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine
• PubChem CID: 158068275
• Molecular Formula: C156H159N51O3
• Molecular Weight: 2796.34 g/mol
• Exact Mass: 2794.39
• IUPAC Name: 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]methanol;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine
• SMILES: CC(C)Cn1cc(-c2cnc3c(Nc4cccc(N(C)C)c4)nccn23)cn1.CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4-c4cccc(N)c4)cnc23)c1.CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4-c4cccc(NC(=O)c5ccccc5)c4)cnc23)c1.CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4C=O)cnc23)c1.CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4CO)cnc23)c1.CN(C)c1cccc(Nc2nccn3c(-c4cnn(C)c4)cnc23)c1.CN(C)c1cccc(Nc2nccn3c(-c4cnn(Cc5ccccc5)c4)cnc23)c1
• InChI: InChI=1S/C31H28N8O.C24H24N8.C24H23N7.C21H25N7.C19H21N7O.C19H19N7O.C18H19N7/c1-37(2)25-14-8-13-24(18-25)34-29-30-33-19-27(39(30)16-15-32-29)26-20-38(3)36-28(26)22-11-7-12-23(17-22)35-31(40)21-9-5-4-6-10-21;1-30(2)19-9-5-8-18(13-19)28-23-24-27-14-21(32(24)11-10-26-23)20-15-31(3)29-22(20)16-6-4-7-17(25)12-16;1-29(2)21-10-6-9-20(13-21)28-23-24-26-15-22(31(24)12-11-25-23)19-14-27-30(17-19)16-18-7-4-3-5-8-18;1-15(2)13-27-14-16(11-24-27)19-12-23-21-20(22-8-9-28(19)21)25-17-6-5-7-18(10-17)26(3)4;2*1-24(2)14-6-4-5-13(9-14)22-18-19-21-10-17(26(19)8-7-20-18)15-11-25(3)23-16(15)12-27;1-23(2)15-6-4-5-14(9-15)22-17-18-20-11-16(25(18)8-7-19-17)13-10-21-24(3)12-13/h4-20H,1-3H3,(H,32,34)(H,35,40);4-15H,25H2,1-3H3,(H,26,28);3-15,17H,16H2,1-2H3,(H,25,28);5-12,14-15H,13H2,1-4H3,(H,22,25);4-11,27H,12H2,1-3H3,(H,20,22);4-12H,1-3H3,(H,20,22);4-12H,1-3H3,(H,19,22)
• InChIKey: FLMSOZKHLALDIA-UHFFFAOYSA-N
• XLogP: 26.68
• TPSA: 535.38 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 53
• Rotatable Bonds: 38
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2796.34
LogP ≤ 5	26.68
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]methanol;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine?

The IUPAC name of 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]methanol;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine (CID 158068275) is 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]methanol;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine.

What is the SMILES notation for 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]methanol;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine?

The canonical SMILES for 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]methanol;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine is CC(C)Cn1cc(-c2cnc3c(Nc4cccc(N(C)C)c4)nccn23)cn1.CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4-c4cccc(N)c4)cnc23)c1.CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4-c4cccc(NC(=O)c5ccccc5)c4)cnc23)c1.CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4C=O)cnc23)c1.CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4CO)cnc23)c1.CN(C)c1cccc(Nc2nccn3c(-c4cnn(C)c4)cnc23)c1.CN(C)c1cccc(Nc2nccn3c(-c4cnn(Cc5ccccc5)c4)cnc23)c1.

What is the InChIKey of 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]methanol;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine?

The InChIKey is FLMSOZKHLALDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N8O.C24H24N8.C24H23N7.C21H25N7.C19H21N7O.C19H19N7O.C18H19N7/c1-37(2)25-14-8-13-24(18-25)34-29-30-33-19-27(39(30)16-15-32-29)26-20-38(3)36-28(26)22-11-7-12-23(17-22)35-31(40)21-9-5-4-6-10-21;1-30(2)19-9-5-8-18(13-19)28-23-24-27-14-21(32(24)11-10-26-23)20-15-31(3)29-22(20)16-6-4-7-17(25)12-16;1-29(2)21-10-6-9-20(13-21)28-23-24-26-15-22(31(24)12-11-25-23)19-14-27-30(17-19)16-18-7-4-3-5-8-18;1-15(2)13-27-14-16(11-24-27)19-12-23-21-20(22-8-9-28(19)21)25-17-6-5-7-18(10-17)26(3)4;2*1-24(2)14-6-4-5-13(9-14)22-18-19-21-10-17(26(19)8-7-20-18)15-11-25(3)23-16(15)12-27;1-23(2)15-6-4-5-14(9-15)22-17-18-20-11-16(25(18)8-7-19-17)13-10-21-24(3)12-13/h4-20H,1-3H3,(H,32,34)(H,35,40);4-15H,25H2,1-3H3,(H,26,28);3-15,17H,16H2,1-2H3,(H,25,28);5-12,14-15H,13H2,1-4H3,(H,22,25);4-11,27H,12H2,1-3H3,(H,20,22);4-12H,1-3H3,(H,20,22);4-12H,1-3H3,(H,19,22).

What are the key properties of 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]methanol;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine?

1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]methanol;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine has a molecular weight of 2796.34 g/mol, XLogP of 26.68, 38 rotatable bonds, 10 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]methanol;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine is sourced from PubChem (CID 158068275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).