N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;5-ethyl-2-methyl-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]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C114H122F3N31O17 — CID 161263655

About N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;5-ethyl-2-methyl-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]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;5-ethyl-2-methyl-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]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 161263655) has the molecular formula C114H122F3N31O17 and a molecular weight of 2255.42 g/mol. Its IUPAC name is N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;5-ethyl-2-methyl-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]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;5-ethyl-2-methyl-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]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 161263655
• Molecular Formula: C114H122F3N31O17
• Molecular Weight: 2255.42 g/mol
• Exact Mass: 2253.96
• IUPAC Name: N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;5-ethyl-2-methyl-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]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
• SMILES: CCc1ccc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1.CN[C@H](C(=O)Nc1cn[nH]c1-c1nc2cc(OC)c(OC)cc2[nH]1)c1ccccc1.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(N4CCOCC4)ccc3OC)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3ccc(CN4CCCCC4)o3)[nH]c2cc1OC.Cc1nc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C(F)(F)F)o1
• InChI: InChI=1S/C25H28N6O2.C24H26N6O5.C23H26N6O4.C21H20F3N7O3.C21H22N6O3/c1-3-17-5-4-16(2)19(12-17)25(32)29-22-14-26-30-23(22)24-27-20-7-6-18(13-21(20)28-24)15-31-8-10-33-11-9-31;1-32-19-5-4-14(30-6-8-35-9-7-30)10-15(19)24(31)28-18-13-25-29-22(18)23-26-16-11-20(33-2)21(34-3)12-17(16)27-23;1-31-19-10-15-16(11-20(19)32-2)26-22(25-15)21-17(12-24-28-21)27-23(30)18-7-6-14(33-18)13-29-8-4-3-5-9-29;1-11-26-17(18(34-11)21(22,23)24)20(32)29-15-9-25-30-16(15)19-27-13-3-2-12(8-14(13)28-19)10-31-4-6-33-7-5-31;1-22-18(12-7-5-4-6-8-12)21(28)26-15-11-23-27-19(15)20-24-13-9-16(29-2)17(30-3)10-14(13)25-20/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,26,30)(H,27,28)(H,29,32);4-5,10-13H,6-9H2,1-3H3,(H,25,29)(H,26,27)(H,28,31);6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,24,28)(H,25,26)(H,27,30);2-3,8-9H,4-7,10H2,1H3,(H,25,30)(H,27,28)(H,29,32);4-11,18,22H,1-3H3,(H,23,27)(H,24,25)(H,26,28)/t;;;;18-/m....0/s1
• InChIKey: VCWUATJWWYMYJK-PFXFJQGWSA-N
• XLogP: 17.00
• TPSA: 588.76 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2255.42
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;5-ethyl-2-methyl-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]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;5-ethyl-2-methyl-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]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 161263655) is N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;5-ethyl-2-methyl-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]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;5-ethyl-2-methyl-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]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;5-ethyl-2-methyl-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]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CCc1ccc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1.CN[C@H](C(=O)Nc1cn[nH]c1-c1nc2cc(OC)c(OC)cc2[nH]1)c1ccccc1.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(N4CCOCC4)ccc3OC)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3ccc(CN4CCCCC4)o3)[nH]c2cc1OC.Cc1nc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C(F)(F)F)o1.

What is the InChIKey of N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;5-ethyl-2-methyl-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]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?

The InChIKey is VCWUATJWWYMYJK-PFXFJQGWSA-N. The full InChI is InChI=1S/C25H28N6O2.C24H26N6O5.C23H26N6O4.C21H20F3N7O3.C21H22N6O3/c1-3-17-5-4-16(2)19(12-17)25(32)29-22-14-26-30-23(22)24-27-20-7-6-18(13-21(20)28-24)15-31-8-10-33-11-9-31;1-32-19-5-4-14(30-6-8-35-9-7-30)10-15(19)24(31)28-18-13-25-29-22(18)23-26-16-11-20(33-2)21(34-3)12-17(16)27-23;1-31-19-10-15-16(11-20(19)32-2)26-22(25-15)21-17(12-24-28-21)27-23(30)18-7-6-14(33-18)13-29-8-4-3-5-9-29;1-11-26-17(18(34-11)21(22,23)24)20(32)29-15-9-25-30-16(15)19-27-13-3-2-12(8-14(13)28-19)10-31-4-6-33-7-5-31;1-22-18(12-7-5-4-6-8-12)21(28)26-15-11-23-27-19(15)20-24-13-9-16(29-2)17(30-3)10-14(13)25-20/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,26,30)(H,27,28)(H,29,32);4-5,10-13H,6-9H2,1-3H3,(H,25,29)(H,26,27)(H,28,31);6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,24,28)(H,25,26)(H,27,30);2-3,8-9H,4-7,10H2,1H3,(H,25,30)(H,27,28)(H,29,32);4-11,18,22H,1-3H3,(H,23,27)(H,24,25)(H,26,28)/t;;;;18-/m....0/s1.

What are the key properties of N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;5-ethyl-2-methyl-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]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?

N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;5-ethyl-2-methyl-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]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 2255.42 g/mol, XLogP of 17.00, 32 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;5-ethyl-2-methyl-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]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 161263655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).