6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;4,5-diamino-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-carboxamide

C95H100ClN29O11 — CID 160680954

About 6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;4,5-diamino-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-carboxamide

6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;4,5-diamino-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-carboxamide (PubChem CID 160680954) has the molecular formula C95H100ClN29O11 and a molecular weight of 1859.49 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;4,5-diamino-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-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;4,5-diamino-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-carboxamide
• PubChem CID: 160680954
• Molecular Formula: C95H100ClN29O11
• Molecular Weight: 1859.49 g/mol
• Exact Mass: 1857.78
• 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;4,5-diamino-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-carboxamide
• SMILES: COc1cc(N)c(N)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.COc1nc(Cl)cc(C)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.Cc1oc2c(c1C(=O)Nc1cn[nH]c1-c1nc3ccc(CN4CCOCC4)cc3[nH]1)CCCC2.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cnc2ccccc2n1
• InChI: InChI=1S/C25H28N6O3.C24H22N8O2.C23H24ClN7O3.C23H26N8O3/c1-15-22(17-4-2-3-5-21(17)34-15)25(32)29-20-13-26-30-23(20)24-27-18-7-6-16(12-19(18)28-24)14-31-8-10-33-11-9-31;33-24(21-12-25-16-3-1-2-4-17(16)27-21)30-20-13-26-31-22(20)23-28-18-6-5-15(11-19(18)29-23)14-32-7-9-34-10-8-32;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;1-33-20-10-16(25)15(24)9-14(20)23(32)29-19-11-26-30-21(19)22-27-17-3-2-13(8-18(17)28-22)12-31-4-6-34-7-5-31/h6-7,12-13H,2-5,8-11,14H2,1H3,(H,26,30)(H,27,28)(H,29,32);1-6,11-13H,7-10,14H2,(H,26,31)(H,28,29)(H,30,33);3-4,9-11H,5-8,12H2,1-2H3,(H,25,30)(H,26,27)(H,28,32);2-3,8-11H,4-7,12,24-25H2,1H3,(H,26,30)(H,27,28)(H,29,32)
• InChIKey: RODFDNVIERDBDV-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 518.03 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1859.49
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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;4,5-diamino-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-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;4,5-diamino-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-carboxamide (CID 160680954) is 6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;4,5-diamino-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-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;4,5-diamino-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-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;4,5-diamino-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-carboxamide is COc1cc(N)c(N)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.COc1nc(Cl)cc(C)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.Cc1oc2c(c1C(=O)Nc1cn[nH]c1-c1nc3ccc(CN4CCOCC4)cc3[nH]1)CCCC2.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cnc2ccccc2n1.

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;4,5-diamino-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-carboxamide?

The InChIKey is RODFDNVIERDBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3.C24H22N8O2.C23H24ClN7O3.C23H26N8O3/c1-15-22(17-4-2-3-5-21(17)34-15)25(32)29-20-13-26-30-23(20)24-27-18-7-6-16(12-19(18)28-24)14-31-8-10-33-11-9-31;33-24(21-12-25-16-3-1-2-4-17(16)27-21)30-20-13-26-31-22(20)23-28-18-6-5-15(11-19(18)29-23)14-32-7-9-34-10-8-32;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;1-33-20-10-16(25)15(24)9-14(20)23(32)29-19-11-26-30-21(19)22-27-17-3-2-13(8-18(17)28-22)12-31-4-6-34-7-5-31/h6-7,12-13H,2-5,8-11,14H2,1H3,(H,26,30)(H,27,28)(H,29,32);1-6,11-13H,7-10,14H2,(H,26,31)(H,28,29)(H,30,33);3-4,9-11H,5-8,12H2,1-2H3,(H,25,30)(H,26,27)(H,28,32);2-3,8-11H,4-7,12,24-25H2,1H3,(H,26,30)(H,27,28)(H,29,32).

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;4,5-diamino-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-carboxamide?

6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;4,5-diamino-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-carboxamide has a molecular weight of 1859.49 g/mol, XLogP of 12.41, 22 rotatable bonds, 14 hydrogen bond donors, and 28 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;4,5-diamino-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 160680954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).