6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide

C92H89Cl2F4N25O11 — CID 158929960

About 6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide

6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 158929960) has the molecular formula C92H89Cl2F4N25O11 and a molecular weight of 1867.79 g/mol. Its IUPAC name is 6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
• PubChem CID: 158929960
• Molecular Formula: C92H89Cl2F4N25O11
• Molecular Weight: 1867.79 g/mol
• Exact Mass: 1865.65
• IUPAC Name: 6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
• SMILES: COc1nc(Cl)cc(C)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Oc1ccc(F)cc1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cc(C(F)(F)F)ccc1Cl.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc2c(c1)CCO2
• InChI: InChI=1S/C24H24N6O3.C23H20ClF3N6O2.C23H24ClN7O3.C22H21FN6O3/c31-24(17-2-4-21-16(12-17)5-8-33-21)28-20-13-25-29-22(20)23-26-18-3-1-15(11-19(18)27-23)14-30-6-9-32-10-7-30;24-16-3-2-14(23(25,26)27)10-15(16)22(34)31-19-11-28-32-20(19)21-29-17-4-1-13(9-18(17)30-21)12-33-5-7-35-8-6-33;1-13-9-18(24)29-23(33-2)19(13)22(32)28-17-11-25-30-20(17)21-26-15-4-3-14(10-16(15)27-21)12-31-5-7-34-8-6-31;23-15-2-4-16(5-3-15)32-22(30)27-19-12-24-28-20(19)21-25-17-6-1-14(11-18(17)26-21)13-29-7-9-31-10-8-29/h1-4,11-13H,5-10,14H2,(H,25,29)(H,26,27)(H,28,31);1-4,9-11H,5-8,12H2,(H,28,32)(H,29,30)(H,31,34);3-4,9-11H,5-8,12H2,1-2H3,(H,25,30)(H,26,27)(H,28,32);1-6,11-12H,7-10,13H2,(H,24,28)(H,25,26)(H,27,30)
• InChIKey: JIXSEQOPUJLZTL-UHFFFAOYSA-N
• XLogP: 14.62
• TPSA: 436.30 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1867.79
LogP ≤ 5	14.62
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?

The IUPAC name of 6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 158929960) is 6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide.

What is the SMILES notation for 6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?

The canonical SMILES for 6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide is COc1nc(Cl)cc(C)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Oc1ccc(F)cc1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cc(C(F)(F)F)ccc1Cl.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc2c(c1)CCO2.

What is the InChIKey of 6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?

The InChIKey is JIXSEQOPUJLZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3.C23H20ClF3N6O2.C23H24ClN7O3.C22H21FN6O3/c31-24(17-2-4-21-16(12-17)5-8-33-21)28-20-13-25-29-22(20)23-26-18-3-1-15(11-19(18)27-23)14-30-6-9-32-10-7-30;24-16-3-2-14(23(25,26)27)10-15(16)22(34)31-19-11-28-32-20(19)21-29-17-4-1-13(9-18(17)30-21)12-33-5-7-35-8-6-33;1-13-9-18(24)29-23(33-2)19(13)22(32)28-17-11-25-30-20(17)21-26-15-4-3-14(10-16(15)27-21)12-31-5-7-34-8-6-31;23-15-2-4-16(5-3-15)32-22(30)27-19-12-24-28-20(19)21-25-17-6-1-14(11-18(17)26-21)13-29-7-9-31-10-8-29/h1-4,11-13H,5-10,14H2,(H,25,29)(H,26,27)(H,28,31);1-4,9-11H,5-8,12H2,(H,28,32)(H,29,30)(H,31,34);3-4,9-11H,5-8,12H2,1-2H3,(H,25,30)(H,26,27)(H,28,32);1-6,11-12H,7-10,13H2,(H,24,28)(H,25,26)(H,27,30).

What are the key properties of 6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?

6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 1867.79 g/mol, XLogP of 14.62, 21 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 158929960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).