2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;3-(4-fluorophenyl)-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide

C98H104F2N28O14S — CID 158097858

About 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;3-(4-fluorophenyl)-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide

2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;3-(4-fluorophenyl)-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide (PubChem CID 158097858) has the molecular formula C98H104F2N28O14S and a molecular weight of 1968.15 g/mol. Its IUPAC name is 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;3-(4-fluorophenyl)-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;3-(4-fluorophenyl)-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide
• PubChem CID: 158097858
• Molecular Formula: C98H104F2N28O14S
• Molecular Weight: 1968.15 g/mol
• Exact Mass: 1966.80
• IUPAC Name: 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;3-(4-fluorophenyl)-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide
• SMILES: COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(F)cc(N4CCN(C)CC4)c3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)[nH]c2cc1OC.Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.NC(C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1
• InChI: InChI=1S/C26H24FN7O3.C25H29N7O6S.C24H26FN7O3.C23H25N7O2/c1-15-22(23(33-37-15)17-3-5-18(27)6-4-17)26(35)31-21-13-28-32-24(21)25-29-19-7-2-16(12-20(19)30-25)14-34-8-10-36-11-9-34;1-31-7-9-32(10-8-31)39(34,35)15-5-6-20(36-2)16(11-15)25(33)29-19-14-26-30-23(19)24-27-17-12-21(37-3)22(38-4)13-18(17)28-24;1-31-4-6-32(7-5-31)16-9-14(8-15(25)10-16)24(33)29-19-13-26-30-22(19)23-27-17-11-20(34-2)21(35-3)12-18(17)28-23;24-20(16-4-2-1-3-5-16)23(31)28-19-13-25-29-21(19)22-26-17-7-6-15(12-18(17)27-22)14-30-8-10-32-11-9-30/h2-7,12-13H,8-11,14H2,1H3,(H,28,32)(H,29,30)(H,31,35);5-6,11-14H,7-10H2,1-4H3,(H,26,30)(H,27,28)(H,29,33);8-13H,4-7H2,1-3H3,(H,26,30)(H,27,28)(H,29,33);1-7,12-13,20H,8-11,14,24H2,(H,25,29)(H,26,27)(H,28,31)
• InChIKey: FOWQGKRGFRRRSR-UHFFFAOYSA-N
• XLogP: 11.84
• TPSA: 516.08 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1968.15
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;3-(4-fluorophenyl)-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide?

The IUPAC name of 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;3-(4-fluorophenyl)-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide (CID 158097858) is 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;3-(4-fluorophenyl)-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;3-(4-fluorophenyl)-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide?

The canonical SMILES for 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;3-(4-fluorophenyl)-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide is COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(F)cc(N4CCN(C)CC4)c3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)[nH]c2cc1OC.Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.NC(C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1.

What is the InChIKey of 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;3-(4-fluorophenyl)-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide?

The InChIKey is FOWQGKRGFRRRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O3.C25H29N7O6S.C24H26FN7O3.C23H25N7O2/c1-15-22(23(33-37-15)17-3-5-18(27)6-4-17)26(35)31-21-13-28-32-24(21)25-29-19-7-2-16(12-20(19)30-25)14-34-8-10-36-11-9-34;1-31-7-9-32(10-8-31)39(34,35)15-5-6-20(36-2)16(11-15)25(33)29-19-14-26-30-23(19)24-27-17-12-21(37-3)22(38-4)13-18(17)28-24;1-31-4-6-32(7-5-31)16-9-14(8-15(25)10-16)24(33)29-19-13-26-30-22(19)23-27-17-11-20(34-2)21(35-3)12-18(17)28-23;24-20(16-4-2-1-3-5-16)23(31)28-19-13-25-29-21(19)22-26-17-7-6-15(12-18(17)27-22)14-30-8-10-32-11-9-30/h2-7,12-13H,8-11,14H2,1H3,(H,28,32)(H,29,30)(H,31,35);5-6,11-14H,7-10H2,1-4H3,(H,26,30)(H,27,28)(H,29,33);8-13H,4-7H2,1-3H3,(H,26,30)(H,27,28)(H,29,33);1-7,12-13,20H,8-11,14,24H2,(H,25,29)(H,26,27)(H,28,31).

What are the key properties of 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;3-(4-fluorophenyl)-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide?

2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;3-(4-fluorophenyl)-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 1968.15 g/mol, XLogP of 11.84, 26 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;3-(4-fluorophenyl)-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 158097858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).