4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-[4-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carbaldehyde;3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[2-(4-methoxypyrazol-1-yl)ethylamino]-1H-pyridin-2-one

C108H134Cl3N29O10 — CID 157149574

About 4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-[4-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carbaldehyde;3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[2-(4-methoxypyrazol-1-yl)ethylamino]-1H-pyridin-2-one

4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-[4-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carbaldehyde;3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[2-(4-methoxypyrazol-1-yl)ethylamino]-1H-pyridin-2-one (PubChem CID 157149574) has the molecular formula C108H134Cl3N29O10 and a molecular weight of 2104.81 g/mol. Its IUPAC name is 4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-[4-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carbaldehyde;3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[2-(4-methoxypyrazol-1-yl)ethylamino]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-[4-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carbaldehyde;3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[2-(4-methoxypyrazol-1-yl)ethylamino]-1H-pyridin-2-one
• PubChem CID: 157149574
• Molecular Formula: C108H134Cl3N29O10
• Molecular Weight: 2104.81 g/mol
• Exact Mass: 2101.99
• IUPAC Name: 4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-[4-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carbaldehyde;3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[2-(4-methoxypyrazol-1-yl)ethylamino]-1H-pyridin-2-one
• SMILES: COCCN1CCC(c2cc(C)c3nc(-c4c(NCCn5cc(OC)cn5)cc[nH]c4=O)[nH]c3c2)CC1.COCCN1CCC(c2cc(C)c3nc(-c4c(NCCn5ncc(OC)c5Cl)cc[nH]c4=O)[nH]c3c2)CC1.Cc1cc(C2CCN(C3CCN(CCO)CC3)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12.Cc1cc(C2CCN(C=O)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12
• InChI: InChI=1S/C30H39ClN8O2.C27H34ClN7O3.C27H35N7O3.C24H26ClN7O2/c1-20-16-22(21-3-11-38(12-4-21)24-5-9-37(10-6-24)14-15-40)17-26-28(20)36-29(35-26)27-25(2-7-33-30(27)41)32-8-13-39-19-23(31)18-34-39;1-17-14-19(18-5-9-34(10-6-18)12-13-37-2)15-21-24(17)33-26(32-21)23-20(4-7-30-27(23)36)29-8-11-35-25(28)22(38-3)16-31-35;1-18-14-20(19-5-9-33(10-6-19)12-13-36-2)15-23-25(18)32-26(31-23)24-22(4-7-29-27(24)35)28-8-11-34-17-21(37-3)16-30-34;1-15-10-17(16-3-7-31(14-33)8-4-16)11-20-22(15)30-23(29-20)21-19(2-5-27-24(21)34)26-6-9-32-13-18(25)12-28-32/h2,7,16-19,21,24,40H,3-6,8-15H2,1H3,(H,35,36)(H2,32,33,41);4,7,14-16,18H,5-6,8-13H2,1-3H3,(H,32,33)(H2,29,30,36);4,7,14-17,19H,5-6,8-13H2,1-3H3,(H,31,32)(H2,28,29,35);2,5,10-14,16H,3-4,6-9H2,1H3,(H,29,30)(H2,26,27,34)
• InChIKey: ALCGMVLFNSIMIC-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 455.98 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 30
• Rotatable Bonds: 36
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2104.81
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-[4-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carbaldehyde;3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[2-(4-methoxypyrazol-1-yl)ethylamino]-1H-pyridin-2-one?

The IUPAC name of 4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-[4-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carbaldehyde;3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[2-(4-methoxypyrazol-1-yl)ethylamino]-1H-pyridin-2-one (CID 157149574) is 4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-[4-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carbaldehyde;3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[2-(4-methoxypyrazol-1-yl)ethylamino]-1H-pyridin-2-one.

What is the SMILES notation for 4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-[4-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carbaldehyde;3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[2-(4-methoxypyrazol-1-yl)ethylamino]-1H-pyridin-2-one?

The canonical SMILES for 4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-[4-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carbaldehyde;3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[2-(4-methoxypyrazol-1-yl)ethylamino]-1H-pyridin-2-one is COCCN1CCC(c2cc(C)c3nc(-c4c(NCCn5cc(OC)cn5)cc[nH]c4=O)[nH]c3c2)CC1.COCCN1CCC(c2cc(C)c3nc(-c4c(NCCn5ncc(OC)c5Cl)cc[nH]c4=O)[nH]c3c2)CC1.Cc1cc(C2CCN(C3CCN(CCO)CC3)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12.Cc1cc(C2CCN(C=O)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12.

What is the InChIKey of 4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-[4-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carbaldehyde;3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[2-(4-methoxypyrazol-1-yl)ethylamino]-1H-pyridin-2-one?

The InChIKey is ALCGMVLFNSIMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39ClN8O2.C27H34ClN7O3.C27H35N7O3.C24H26ClN7O2/c1-20-16-22(21-3-11-38(12-4-21)24-5-9-37(10-6-24)14-15-40)17-26-28(20)36-29(35-26)27-25(2-7-33-30(27)41)32-8-13-39-19-23(31)18-34-39;1-17-14-19(18-5-9-34(10-6-18)12-13-37-2)15-21-24(17)33-26(32-21)23-20(4-7-30-27(23)36)29-8-11-35-25(28)22(38-3)16-31-35;1-18-14-20(19-5-9-33(10-6-19)12-13-36-2)15-23-25(18)32-26(31-23)24-22(4-7-29-27(24)35)28-8-11-34-17-21(37-3)16-30-34;1-15-10-17(16-3-7-31(14-33)8-4-16)11-20-22(15)30-23(29-20)21-19(2-5-27-24(21)34)26-6-9-32-13-18(25)12-28-32/h2,7,16-19,21,24,40H,3-6,8-15H2,1H3,(H,35,36)(H2,32,33,41);4,7,14-16,18H,5-6,8-13H2,1-3H3,(H,32,33)(H2,29,30,36);4,7,14-17,19H,5-6,8-13H2,1-3H3,(H,31,32)(H2,28,29,35);2,5,10-14,16H,3-4,6-9H2,1H3,(H,29,30)(H2,26,27,34).

What are the key properties of 4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-[4-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carbaldehyde;3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[2-(4-methoxypyrazol-1-yl)ethylamino]-1H-pyridin-2-one?

4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-[4-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carbaldehyde;3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[2-(4-methoxypyrazol-1-yl)ethylamino]-1H-pyridin-2-one has a molecular weight of 2104.81 g/mol, XLogP of 14.74, 36 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-[4-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carbaldehyde;3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[2-(4-methoxypyrazol-1-yl)ethylamino]-1H-pyridin-2-one is sourced from PubChem (CID 157149574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).