N-[5-[6-[(4-cyclopentylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-2-morpholin-4-yl-7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,4,6-trifluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide

C137H133F12N43O13S — CID 159146053

About N-[5-[6-[(4-cyclopentylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-2-morpholin-4-yl-7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,4,6-trifluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide

N-[5-[6-[(4-cyclopentylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-2-morpholin-4-yl-7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,4,6-trifluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide (PubChem CID 159146053) has the molecular formula C137H133F12N43O13S and a molecular weight of 2849.90 g/mol. Its IUPAC name is N-[5-[6-[(4-cyclopentylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-2-morpholin-4-yl-7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,4,6-trifluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide.

Molecular Properties

• Compound Name: N-[5-[6-[(4-cyclopentylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-2-morpholin-4-yl-7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,4,6-trifluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
• PubChem CID: 159146053
• Molecular Formula: C137H133F12N43O13S
• Molecular Weight: 2849.90 g/mol
• Exact Mass: 2848.06
• IUPAC Name: N-[5-[6-[(4-cyclopentylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-2-morpholin-4-yl-7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,4,6-trifluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
• SMILES: CCS(=O)(=O)N1CCN(Cc2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.Cc1cc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C(F)(F)F)o1.Cc1nc(N2CCOCC2)nc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c12.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCN(C4CCCC4)CC3)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1c(F)cc(F)cc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cnn2cccnc12
• InChI: InChI=1S/C27H29F2N7O.C24H25F2N7O3S.C22H21F3N6O3.C22H19F3N6O2.C22H21N9O2.C20H18F2N8O2/c28-19-6-3-7-20(29)24(19)27(37)33-23-15-30-34-25(23)26-31-21-9-8-17(14-22(21)32-26)16-35-10-12-36(13-11-35)18-4-1-2-5-18;1-2-37(35,36)33-10-8-32(9-11-33)14-15-6-7-18-19(12-15)29-23(28-18)22-20(13-27-31-22)30-24(34)21-16(25)4-3-5-17(21)26;1-12-8-14(19(34-12)22(23,24)25)21(32)29-17-10-26-30-18(17)20-27-15-3-2-13(9-16(15)28-20)11-31-4-6-33-7-5-31;23-13-8-14(24)19(15(25)9-13)22(32)29-18-10-26-30-20(18)21-27-16-2-1-12(7-17(16)28-21)11-31-3-5-33-6-4-31;32-22(15-11-25-31-5-1-4-23-21(15)31)28-18-12-24-29-19(18)20-26-16-3-2-14(10-17(16)27-20)13-30-6-8-33-9-7-30;1-10-15-17(28-20(24-10)30-5-7-32-8-6-30)27-18(26-15)16-13(9-23-29-16)25-19(31)14-11(21)3-2-4-12(14)22/h3,6-9,14-15,18H,1-2,4-5,10-13,16H2,(H,30,34)(H,31,32)(H,33,37);3-7,12-13H,2,8-11,14H2,1H3,(H,27,31)(H,28,29)(H,30,34);2-3,8-10H,4-7,11H2,1H3,(H,26,30)(H,27,28)(H,29,32);1-2,7-10H,3-6,11H2,(H,26,30)(H,27,28)(H,29,32);1-5,10-12H,6-9,13H2,(H,24,29)(H,26,27)(H,28,32);2-4,9H,5-8H2,1H3,(H,23,29)(H,25,31)(H,24,26,27,28)
• InChIKey: KIRRFNGAMNTPFY-UHFFFAOYSA-N
• XLogP: 19.41
• TPSA: 684.85 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2849.90
LogP ≤ 5	19.41
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[(4-cyclopentylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-2-morpholin-4-yl-7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,4,6-trifluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?

The IUPAC name of N-[5-[6-[(4-cyclopentylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-2-morpholin-4-yl-7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,4,6-trifluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide (CID 159146053) is N-[5-[6-[(4-cyclopentylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-2-morpholin-4-yl-7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,4,6-trifluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide.

What is the SMILES notation for N-[5-[6-[(4-cyclopentylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-2-morpholin-4-yl-7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,4,6-trifluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?

The canonical SMILES for N-[5-[6-[(4-cyclopentylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-2-morpholin-4-yl-7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,4,6-trifluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide is CCS(=O)(=O)N1CCN(Cc2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.Cc1cc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C(F)(F)F)o1.Cc1nc(N2CCOCC2)nc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c12.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCN(C4CCCC4)CC3)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1c(F)cc(F)cc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cnn2cccnc12.

What is the InChIKey of N-[5-[6-[(4-cyclopentylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-2-morpholin-4-yl-7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,4,6-trifluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?

The InChIKey is KIRRFNGAMNTPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N7O.C24H25F2N7O3S.C22H21F3N6O3.C22H19F3N6O2.C22H21N9O2.C20H18F2N8O2/c28-19-6-3-7-20(29)24(19)27(37)33-23-15-30-34-25(23)26-31-21-9-8-17(14-22(21)32-26)16-35-10-12-36(13-11-35)18-4-1-2-5-18;1-2-37(35,36)33-10-8-32(9-11-33)14-15-6-7-18-19(12-15)29-23(28-18)22-20(13-27-31-22)30-24(34)21-16(25)4-3-5-17(21)26;1-12-8-14(19(34-12)22(23,24)25)21(32)29-17-10-26-30-18(17)20-27-15-3-2-13(9-16(15)28-20)11-31-4-6-33-7-5-31;23-13-8-14(24)19(15(25)9-13)22(32)29-18-10-26-30-20(18)21-27-16-2-1-12(7-17(16)28-21)11-31-3-5-33-6-4-31;32-22(15-11-25-31-5-1-4-23-21(15)31)28-18-12-24-29-19(18)20-26-16-3-2-14(10-17(16)27-20)13-30-6-8-33-9-7-30;1-10-15-17(28-20(24-10)30-5-7-32-8-6-30)27-18(26-15)16-13(9-23-29-16)25-19(31)14-11(21)3-2-4-12(14)22/h3,6-9,14-15,18H,1-2,4-5,10-13,16H2,(H,30,34)(H,31,32)(H,33,37);3-7,12-13H,2,8-11,14H2,1H3,(H,27,31)(H,28,29)(H,30,34);2-3,8-10H,4-7,11H2,1H3,(H,26,30)(H,27,28)(H,29,32);1-2,7-10H,3-6,11H2,(H,26,30)(H,27,28)(H,29,32);1-5,10-12H,6-9,13H2,(H,24,29)(H,26,27)(H,28,32);2-4,9H,5-8H2,1H3,(H,23,29)(H,25,31)(H,24,26,27,28).

What are the key properties of N-[5-[6-[(4-cyclopentylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-2-morpholin-4-yl-7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,4,6-trifluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?

N-[5-[6-[(4-cyclopentylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-2-morpholin-4-yl-7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,4,6-trifluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide has a molecular weight of 2849.90 g/mol, XLogP of 19.41, 32 rotatable bonds, 18 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[6-[(4-cyclopentylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-2-morpholin-4-yl-7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,4,6-trifluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 159146053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).