4-amino-2-methoxy-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;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

C97H104N28O11 — CID 158121566

About 4-amino-2-methoxy-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;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

4-amino-2-methoxy-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;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 158121566) has the molecular formula C97H104N28O11 and a molecular weight of 1838.08 g/mol. Its IUPAC name is 4-amino-2-methoxy-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;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: 4-amino-2-methoxy-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;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: 158121566
• Molecular Formula: C97H104N28O11
• Molecular Weight: 1838.08 g/mol
• Exact Mass: 1836.84
• IUPAC Name: 4-amino-2-methoxy-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;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(C)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.COc1nc(C)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.C24H22N8O2.2C24H27N7O3/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;1-14-10-15(2)26-24(33-3)20(14)23(32)29-19-12-25-30-21(19)22-27-17-5-4-16(11-18(17)28-22)13-31-6-8-34-9-7-31;1-14-9-16(21(33-2)11-17(14)25)24(32)29-20-12-26-30-22(20)23-27-18-4-3-15(10-19(18)28-23)13-31-5-7-34-8-6-31/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);4-5,10-12H,6-9,13H2,1-3H3,(H,25,30)(H,27,28)(H,29,32);3-4,9-12H,5-8,13,25H2,1-2H3,(H,26,30)(H,27,28)(H,29,32)
• InChIKey: FRQZCYSHLYIMQK-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 492.01 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1838.08
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;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 4-amino-2-methoxy-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;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 158121566) is 4-amino-2-methoxy-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;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 4-amino-2-methoxy-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;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 4-amino-2-methoxy-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;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(C)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.COc1nc(C)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 4-amino-2-methoxy-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;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 FRQZCYSHLYIMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3.C24H22N8O2.2C24H27N7O3/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;1-14-10-15(2)26-24(33-3)20(14)23(32)29-19-12-25-30-21(19)22-27-17-5-4-16(11-18(17)28-22)13-31-6-8-34-9-7-31;1-14-9-16(21(33-2)11-17(14)25)24(32)29-20-12-26-30-22(20)23-27-18-4-3-15(10-19(18)28-23)13-31-5-7-34-8-6-31/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);4-5,10-12H,6-9,13H2,1-3H3,(H,25,30)(H,27,28)(H,29,32);3-4,9-12H,5-8,13,25H2,1-2H3,(H,26,30)(H,27,28)(H,29,32).

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

4-amino-2-methoxy-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;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 1838.08 g/mol, XLogP of 12.79, 22 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-methoxy-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;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 158121566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).