tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate;bis(tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate);1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-4-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-pyridin-4-ylimidazol-1-yl)-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one

C182H184N48O14 — CID 157487449

About tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate;bis(tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate);1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-4-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-pyridin-4-ylimidazol-1-yl)-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one

tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate;bis(tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate);1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-4-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-pyridin-4-ylimidazol-1-yl)-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one (PubChem CID 157487449) has the molecular formula C182H184N48O14 and a molecular weight of 3267.80 g/mol. Its IUPAC name is tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate;bis(tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate);1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-4-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-pyridin-4-ylimidazol-1-yl)-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one.

Molecular Properties

• Compound Name: tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate;bis(tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate);1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-4-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-pyridin-4-ylimidazol-1-yl)-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one
• PubChem CID: 157487449
• Molecular Formula: C182H184N48O14
• Molecular Weight: 3267.80 g/mol
• Exact Mass: 3265.52
• IUPAC Name: tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate;bis(tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate);1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-4-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-pyridin-4-ylimidazol-1-yl)-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one
• SMILES: Cc1cc(-c2cn(CC(=O)Cc3ccc(-c4ccncn4)cn3)cn2)ccn1.Cc1cc(-c2cn(CC(=O)Cc3ccc(-c4cnccn4)cn3)cn2)ccn1.Cc1cc(-c2cn(CC(=O)Cc3ccc(-c4cncnc4)cn3)cn2)ccn1.Cc1cc(-c2cn(CC(=O)Cc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)cn2)ccn1.Cc1cc(-c2cnn(CC(=O)Cc3ccc(-c4cnccn4)cn3)c2)ccn1.Cc1cc(-c2cnn(CC(=O)Cc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)c2)ccn1.Cc1cc(-c2cnn(CC(=O)Cc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)c2)ccn1.O=C(Cc1ccc(-c2cncnc2)cn1)Cn1cnc(-c2ccncc2)c1
• InChI: InChI=1S/3C26H32N6O3.4C21H18N6O.C20H16N6O/c2*1-19-13-20(7-8-27-19)21-15-29-32(17-21)18-24(33)14-22-5-6-23(16-28-22)30-9-11-31(12-10-30)25(34)35-26(2,3)4;1-19-13-20(7-8-27-19)24-17-30(18-29-24)16-23(33)14-21-5-6-22(15-28-21)31-9-11-32(12-10-31)25(34)35-26(2,3)4;1-15-8-16(4-7-23-15)21-12-27(14-26-21)11-19(28)9-18-3-2-17(10-24-18)20-5-6-22-13-25-20;1-15-6-16(4-5-24-15)21-12-27(14-26-21)11-20(28)7-19-3-2-17(10-25-19)18-8-22-13-23-9-18;1-15-8-16(4-5-23-15)18-11-26-27(13-18)14-20(28)9-19-3-2-17(10-25-19)21-12-22-6-7-24-21;1-15-8-16(4-5-23-15)21-13-27(14-26-21)12-19(28)9-18-3-2-17(10-25-18)20-11-22-6-7-24-20;27-19(11-26-12-20(25-14-26)15-3-5-21-6-4-15)7-18-2-1-16(10-24-18)17-8-22-13-23-9-17/h2*5-8,13,15-17H,9-12,14,18H2,1-4H3;5-8,13,15,17-18H,9-12,14,16H2,1-4H3;2-8,10,12-14H,9,11H2,1H3;2-6,8-10,12-14H,7,11H2,1H3;2-8,10-13H,9,14H2,1H3;2-8,10-11,13-14H,9,12H2,1H3;1-6,8-10,12-14H,7,11H2
• InChIKey: BWWOKAHZMAULTC-UHFFFAOYSA-N
• XLogP: 24.83
• TPSA: 712.60 Ų
• H-Bond Acceptors: 59
• Rotatable Bonds: 48
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3267.80
LogP ≤ 5	24.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	59

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate;bis(tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate);1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-4-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-pyridin-4-ylimidazol-1-yl)-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one?

The IUPAC name of tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate;bis(tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate);1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-4-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-pyridin-4-ylimidazol-1-yl)-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one (CID 157487449) is tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate;bis(tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate);1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-4-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-pyridin-4-ylimidazol-1-yl)-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one.

What is the SMILES notation for tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate;bis(tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate);1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-4-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-pyridin-4-ylimidazol-1-yl)-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one?

The canonical SMILES for tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate;bis(tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate);1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-4-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-pyridin-4-ylimidazol-1-yl)-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one is Cc1cc(-c2cn(CC(=O)Cc3ccc(-c4ccncn4)cn3)cn2)ccn1.Cc1cc(-c2cn(CC(=O)Cc3ccc(-c4cnccn4)cn3)cn2)ccn1.Cc1cc(-c2cn(CC(=O)Cc3ccc(-c4cncnc4)cn3)cn2)ccn1.Cc1cc(-c2cn(CC(=O)Cc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)cn2)ccn1.Cc1cc(-c2cnn(CC(=O)Cc3ccc(-c4cnccn4)cn3)c2)ccn1.Cc1cc(-c2cnn(CC(=O)Cc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)c2)ccn1.Cc1cc(-c2cnn(CC(=O)Cc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)c2)ccn1.O=C(Cc1ccc(-c2cncnc2)cn1)Cn1cnc(-c2ccncc2)c1.

What is the InChIKey of tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate;bis(tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate);1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-4-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-pyridin-4-ylimidazol-1-yl)-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one?

The InChIKey is BWWOKAHZMAULTC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C26H32N6O3.4C21H18N6O.C20H16N6O/c2*1-19-13-20(7-8-27-19)21-15-29-32(17-21)18-24(33)14-22-5-6-23(16-28-22)30-9-11-31(12-10-30)25(34)35-26(2,3)4;1-19-13-20(7-8-27-19)24-17-30(18-29-24)16-23(33)14-21-5-6-22(15-28-21)31-9-11-32(12-10-31)25(34)35-26(2,3)4;1-15-8-16(4-7-23-15)21-12-27(14-26-21)11-19(28)9-18-3-2-17(10-24-18)20-5-6-22-13-25-20;1-15-6-16(4-5-24-15)21-12-27(14-26-21)11-20(28)7-19-3-2-17(10-25-19)18-8-22-13-23-9-18;1-15-8-16(4-5-23-15)18-11-26-27(13-18)14-20(28)9-19-3-2-17(10-25-19)21-12-22-6-7-24-21;1-15-8-16(4-5-23-15)21-13-27(14-26-21)12-19(28)9-18-3-2-17(10-25-18)20-11-22-6-7-24-20;27-19(11-26-12-20(25-14-26)15-3-5-21-6-4-15)7-18-2-1-16(10-24-18)17-8-22-13-23-9-17/h2*5-8,13,15-17H,9-12,14,18H2,1-4H3;5-8,13,15,17-18H,9-12,14,16H2,1-4H3;2-8,10,12-14H,9,11H2,1H3;2-6,8-10,12-14H,7,11H2,1H3;2-8,10-13H,9,14H2,1H3;2-8,10-11,13-14H,9,12H2,1H3;1-6,8-10,12-14H,7,11H2.

What are the key properties of tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate;bis(tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate);1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-4-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-pyridin-4-ylimidazol-1-yl)-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one?

tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate;bis(tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate);1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-4-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-pyridin-4-ylimidazol-1-yl)-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one has a molecular weight of 3267.80 g/mol, XLogP of 24.83, 48 rotatable bonds, 0 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate;bis(tert-butyl 4-[6-[3-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]piperazine-1-carboxylate);1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-4-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-pyridin-4-ylimidazol-1-yl)-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 157487449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).