3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-benzofuran-7-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylpropanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C140H143FN42O17 — CID 159655875

About 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-benzofuran-7-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylpropanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-benzofuran-7-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylpropanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 159655875) has the molecular formula C140H143FN42O17 and a molecular weight of 2704.96 g/mol. Its IUPAC name is 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-benzofuran-7-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylpropanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

• Compound Name: 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-benzofuran-7-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylpropanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
• PubChem CID: 159655875
• Molecular Formula: C140H143FN42O17
• Molecular Weight: 2704.96 g/mol
• Exact Mass: 2703.16
• IUPAC Name: 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-benzofuran-7-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylpropanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
• SMILES: CC(C)(C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(C(C)(C)C)nn3C)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3nn(-c4ccc(F)cc4)nc3C)[nH]c2cc1OC.Cc1cc2cccc(C(=O)Nc3cn[nH]c3-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2o1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1n[nH]c(=O)c2ccccc12.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1noc2c1CCCC2
• InChI: InChI=1S/C25H24N6O3.C25H28N6O2.C24H22N8O3.C23H25N7O3.C22H19FN8O3.C21H25N7O3/c1-15-11-17-3-2-4-18(23(17)34-15)25(32)29-21-13-26-30-22(21)24-27-19-6-5-16(12-20(19)28-24)14-31-7-9-33-10-8-31;1-25(2,18-6-4-3-5-7-18)24(32)29-21-15-26-30-22(21)23-27-19-9-8-17(14-20(19)28-23)16-31-10-12-33-13-11-31;33-23-16-4-2-1-3-15(16)20(30-31-23)24(34)28-19-12-25-29-21(19)22-26-17-6-5-14(11-18(17)27-22)13-32-7-9-35-10-8-32;31-23(20-15-3-1-2-4-19(15)33-29-20)27-18-12-24-28-21(18)22-25-16-6-5-14(11-17(16)26-22)13-30-7-9-32-10-8-30;1-11-19(30-31(29-11)13-6-4-12(23)5-7-13)22(32)27-16-10-24-28-20(16)21-25-14-8-17(33-2)18(34-3)9-15(14)26-21;1-21(2,3)17-9-14(28(4)27-17)20(29)25-13-10-22-26-18(13)19-23-11-7-15(30-5)16(31-6)8-12(11)24-19/h2-6,11-13H,7-10,14H2,1H3,(H,26,30)(H,27,28)(H,29,32);3-9,14-15H,10-13,16H2,1-2H3,(H,26,30)(H,27,28)(H,29,32);1-6,11-12H,7-10,13H2,(H,25,29)(H,26,27)(H,28,34)(H,31,33);5-6,11-12H,1-4,7-10,13H2,(H,24,28)(H,25,26)(H,27,31);4-10H,1-3H3,(H,24,28)(H,25,26)(H,27,32);7-10H,1-6H3,(H,22,26)(H,23,24)(H,25,29)
• InChIKey: MSDYSMJOPZPDIV-UHFFFAOYSA-N
• XLogP: 19.48
• TPSA: 739.01 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 40
• Rotatable Bonds: 32
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2704.96
LogP ≤ 5	19.48
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-benzofuran-7-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylpropanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?

The IUPAC name of 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-benzofuran-7-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylpropanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 159655875) is 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-benzofuran-7-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylpropanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

What is the SMILES notation for 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-benzofuran-7-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylpropanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?

The canonical SMILES for 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-benzofuran-7-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylpropanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is CC(C)(C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(C(C)(C)C)nn3C)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3nn(-c4ccc(F)cc4)nc3C)[nH]c2cc1OC.Cc1cc2cccc(C(=O)Nc3cn[nH]c3-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2o1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1n[nH]c(=O)c2ccccc12.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1noc2c1CCCC2.

What is the InChIKey of 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-benzofuran-7-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylpropanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?

The InChIKey is MSDYSMJOPZPDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3.C25H28N6O2.C24H22N8O3.C23H25N7O3.C22H19FN8O3.C21H25N7O3/c1-15-11-17-3-2-4-18(23(17)34-15)25(32)29-21-13-26-30-22(21)24-27-19-6-5-16(12-20(19)28-24)14-31-7-9-33-10-8-31;1-25(2,18-6-4-3-5-7-18)24(32)29-21-15-26-30-22(21)23-27-19-9-8-17(14-20(19)28-23)16-31-10-12-33-13-11-31;33-23-16-4-2-1-3-15(16)20(30-31-23)24(34)28-19-12-25-29-21(19)22-26-17-6-5-14(11-18(17)27-22)13-32-7-9-35-10-8-32;31-23(20-15-3-1-2-4-19(15)33-29-20)27-18-12-24-28-21(18)22-25-16-6-5-14(11-17(16)26-22)13-30-7-9-32-10-8-30;1-11-19(30-31(29-11)13-6-4-12(23)5-7-13)22(32)27-16-10-24-28-20(16)21-25-14-8-17(33-2)18(34-3)9-15(14)26-21;1-21(2,3)17-9-14(28(4)27-17)20(29)25-13-10-22-26-18(13)19-23-11-7-15(30-5)16(31-6)8-12(11)24-19/h2-6,11-13H,7-10,14H2,1H3,(H,26,30)(H,27,28)(H,29,32);3-9,14-15H,10-13,16H2,1-2H3,(H,26,30)(H,27,28)(H,29,32);1-6,11-12H,7-10,13H2,(H,25,29)(H,26,27)(H,28,34)(H,31,33);5-6,11-12H,1-4,7-10,13H2,(H,24,28)(H,25,26)(H,27,31);4-10H,1-3H3,(H,24,28)(H,25,26)(H,27,32);7-10H,1-6H3,(H,22,26)(H,23,24)(H,25,29).

What are the key properties of 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-benzofuran-7-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylpropanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?

3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-benzofuran-7-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylpropanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 2704.96 g/mol, XLogP of 19.48, 32 rotatable bonds, 19 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-benzofuran-7-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylpropanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 159655875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).