2,6-difluoro-N-[5-[6-(4-methylpiperazin-1-yl)sulfonyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-pyrazin-2-yl-3H-pyrrole-4-carboxamide;4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-benzofuran-1-carboxamide

C133H131F4N41O17S — CID 158928420

About 2,6-difluoro-N-[5-[6-(4-methylpiperazin-1-yl)sulfonyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-pyrazin-2-yl-3H-pyrrole-4-carboxamide;4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-benzofuran-1-carboxamide

2,6-difluoro-N-[5-[6-(4-methylpiperazin-1-yl)sulfonyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-pyrazin-2-yl-3H-pyrrole-4-carboxamide;4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-benzofuran-1-carboxamide (PubChem CID 158928420) has the molecular formula C133H131F4N41O17S and a molecular weight of 2683.84 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[6-(4-methylpiperazin-1-yl)sulfonyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-pyrazin-2-yl-3H-pyrrole-4-carboxamide;4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-benzofuran-1-carboxamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[5-[6-(4-methylpiperazin-1-yl)sulfonyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-pyrazin-2-yl-3H-pyrrole-4-carboxamide;4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-benzofuran-1-carboxamide
• PubChem CID: 158928420
• Molecular Formula: C133H131F4N41O17S
• Molecular Weight: 2683.84 g/mol
• Exact Mass: 2682.03
• IUPAC Name: 2,6-difluoro-N-[5-[6-(4-methylpiperazin-1-yl)sulfonyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-pyrazin-2-yl-3H-pyrrole-4-carboxamide;4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-benzofuran-1-carboxamide
• SMILES: CN1CCC(COc2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.CN1CCN(S(=O)(=O)c2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.COc1c[nH]cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.COc1cc2nc(-c3[nH]ncc3NC(=O)C3=C(C)N=C(c4cnccn4)C3)[nH]c2cc1OC.Cc1cc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)no1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1occ2ccccc12
• InChI: InChI=1S/C24H24F2N6O2.C24H22N6O3.C22H21F2N7O3S.C22H20N8O3.C21H23N7O3.C20H21N7O3/c1-32-9-7-14(8-10-32)13-34-15-5-6-18-19(11-15)29-23(28-18)22-20(12-27-31-22)30-24(33)21-16(25)3-2-4-17(21)26;31-24(22-17-4-2-1-3-16(17)14-33-22)28-20-12-25-29-21(20)23-26-18-6-5-15(11-19(18)27-23)13-30-7-9-32-10-8-30;1-30-7-9-31(10-8-30)35(33,34)13-5-6-16-17(11-13)27-21(26-16)20-18(12-25-29-20)28-22(32)19-14(23)3-2-4-15(19)24;1-11-12(6-13(26-11)16-9-23-4-5-24-16)22(31)29-17-10-25-30-20(17)21-27-14-7-18(32-2)19(33-3)8-15(14)28-21;1-30-18-11-22-9-14(18)21(29)26-17-10-23-27-19(17)20-24-15-3-2-13(8-16(15)25-20)12-28-4-6-31-7-5-28;1-12-8-16(26-30-12)20(28)24-17-10-21-25-18(17)19-22-14-3-2-13(9-15(14)23-19)11-27-4-6-29-7-5-27/h2-6,11-12,14H,7-10,13H2,1H3,(H,27,31)(H,28,29)(H,30,33);1-6,11-12,14H,7-10,13H2,(H,25,29)(H,26,27)(H,28,31);2-6,11-12H,7-10H2,1H3,(H,25,29)(H,26,27)(H,28,32);4-5,7-10H,6H2,1-3H3,(H,25,30)(H,27,28)(H,29,31);2-3,8-11,22H,4-7,12H2,1H3,(H,23,27)(H,24,25)(H,26,29);2-3,8-10H,4-7,11H2,1H3,(H,21,25)(H,22,23)(H,24,28)
• InChIKey: JISSBTNKXMACIW-UHFFFAOYSA-N
• XLogP: 17.98
• TPSA: 730.05 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 38
• Rotatable Bonds: 33
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2683.84
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[6-(4-methylpiperazin-1-yl)sulfonyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-pyrazin-2-yl-3H-pyrrole-4-carboxamide;4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-benzofuran-1-carboxamide?

The IUPAC name of 2,6-difluoro-N-[5-[6-(4-methylpiperazin-1-yl)sulfonyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-pyrazin-2-yl-3H-pyrrole-4-carboxamide;4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-benzofuran-1-carboxamide (CID 158928420) is 2,6-difluoro-N-[5-[6-(4-methylpiperazin-1-yl)sulfonyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-pyrazin-2-yl-3H-pyrrole-4-carboxamide;4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-benzofuran-1-carboxamide.

What is the SMILES notation for 2,6-difluoro-N-[5-[6-(4-methylpiperazin-1-yl)sulfonyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-pyrazin-2-yl-3H-pyrrole-4-carboxamide;4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-benzofuran-1-carboxamide?

The canonical SMILES for 2,6-difluoro-N-[5-[6-(4-methylpiperazin-1-yl)sulfonyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-pyrazin-2-yl-3H-pyrrole-4-carboxamide;4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-benzofuran-1-carboxamide is CN1CCC(COc2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.CN1CCN(S(=O)(=O)c2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.COc1c[nH]cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.COc1cc2nc(-c3[nH]ncc3NC(=O)C3=C(C)N=C(c4cnccn4)C3)[nH]c2cc1OC.Cc1cc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)no1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1occ2ccccc12.

What is the InChIKey of 2,6-difluoro-N-[5-[6-(4-methylpiperazin-1-yl)sulfonyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-pyrazin-2-yl-3H-pyrrole-4-carboxamide;4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-benzofuran-1-carboxamide?

The InChIKey is JISSBTNKXMACIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O2.C24H22N6O3.C22H21F2N7O3S.C22H20N8O3.C21H23N7O3.C20H21N7O3/c1-32-9-7-14(8-10-32)13-34-15-5-6-18-19(11-15)29-23(28-18)22-20(12-27-31-22)30-24(33)21-16(25)3-2-4-17(21)26;31-24(22-17-4-2-1-3-16(17)14-33-22)28-20-12-25-29-21(20)23-26-18-6-5-15(11-19(18)27-23)13-30-7-9-32-10-8-30;1-30-7-9-31(10-8-30)35(33,34)13-5-6-16-17(11-13)27-21(26-16)20-18(12-25-29-20)28-22(32)19-14(23)3-2-4-15(19)24;1-11-12(6-13(26-11)16-9-23-4-5-24-16)22(31)29-17-10-25-30-20(17)21-27-14-7-18(32-2)19(33-3)8-15(14)28-21;1-30-18-11-22-9-14(18)21(29)26-17-10-23-27-19(17)20-24-15-3-2-13(8-16(15)25-20)12-28-4-6-31-7-5-28;1-12-8-16(26-30-12)20(28)24-17-10-21-25-18(17)19-22-14-3-2-13(9-15(14)23-19)11-27-4-6-29-7-5-27/h2-6,11-12,14H,7-10,13H2,1H3,(H,27,31)(H,28,29)(H,30,33);1-6,11-12,14H,7-10,13H2,(H,25,29)(H,26,27)(H,28,31);2-6,11-12H,7-10H2,1H3,(H,25,29)(H,26,27)(H,28,32);4-5,7-10H,6H2,1-3H3,(H,25,30)(H,27,28)(H,29,31);2-3,8-11,22H,4-7,12H2,1H3,(H,23,27)(H,24,25)(H,26,29);2-3,8-10H,4-7,11H2,1H3,(H,21,25)(H,22,23)(H,24,28).

What are the key properties of 2,6-difluoro-N-[5-[6-(4-methylpiperazin-1-yl)sulfonyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-pyrazin-2-yl-3H-pyrrole-4-carboxamide;4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-benzofuran-1-carboxamide?

2,6-difluoro-N-[5-[6-(4-methylpiperazin-1-yl)sulfonyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-pyrazin-2-yl-3H-pyrrole-4-carboxamide;4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-benzofuran-1-carboxamide has a molecular weight of 2683.84 g/mol, XLogP of 17.98, 33 rotatable bonds, 19 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[5-[6-(4-methylpiperazin-1-yl)sulfonyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-pyrazin-2-yl-3H-pyrrole-4-carboxamide;4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-benzofuran-1-carboxamide is sourced from PubChem (CID 158928420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).