2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-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]pyridine-3-carboxamide

C115H112F9N33O9 — CID 158448071

About 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-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]pyridine-3-carboxamide

2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-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]pyridine-3-carboxamide (PubChem CID 158448071) has the molecular formula C115H112F9N33O9 and a molecular weight of 2271.36 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-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]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-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]pyridine-3-carboxamide
• PubChem CID: 158448071
• Molecular Formula: C115H112F9N33O9
• Molecular Weight: 2271.36 g/mol
• Exact Mass: 2269.92
• IUPAC Name: 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-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]pyridine-3-carboxamide
• SMILES: CC1CCN(Cc2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.C[C@@H]1CN(Cc2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)C[C@H](C)O1.Cc1cc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C(F)(F)F)o1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCNCC3)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cnn2ccccc12
• InChI: InChI=1S/C24H24F2N6O2.C24H24F2N6O.C23H22N8O2.C22H21F3N6O3.C22H21F2N7O/c1-13-10-32(11-14(2)34-13)12-15-6-7-18-19(8-15)29-23(28-18)22-20(9-27-31-22)30-24(33)21-16(25)4-3-5-17(21)26;1-14-7-9-32(10-8-14)13-15-5-6-18-19(11-15)29-23(28-18)22-20(12-27-31-22)30-24(33)21-16(25)3-2-4-17(21)26;32-23(16-12-25-31-6-2-1-3-20(16)31)28-19-13-24-29-21(19)22-26-17-5-4-15(11-18(17)27-22)14-30-7-9-33-10-8-30;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;23-14-2-1-3-15(24)19(14)22(32)29-18-11-26-30-20(18)21-27-16-5-4-13(10-17(16)28-21)12-31-8-6-25-7-9-31/h3-9,13-14H,10-12H2,1-2H3,(H,27,31)(H,28,29)(H,30,33);2-6,11-12,14H,7-10,13H2,1H3,(H,27,31)(H,28,29)(H,30,33);1-6,11-13H,7-10,14H2,(H,24,29)(H,26,27)(H,28,32);2-3,8-10H,4-7,11H2,1H3,(H,26,30)(H,27,28)(H,29,32);1-5,10-11,25H,6-9,12H2,(H,26,30)(H,27,28)(H,29,32)/t13-,14+
• InChIKey: HDQCIZMNEFFBQA-LSZCJTLMSA-N
• XLogP: 18.34
• TPSA: 518.66 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2271.36
LogP ≤ 5	18.34
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-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]pyridine-3-carboxamide?

The IUPAC name of 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-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]pyridine-3-carboxamide (CID 158448071) is 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-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]pyridine-3-carboxamide.

What is the SMILES notation for 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-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]pyridine-3-carboxamide?

The canonical SMILES for 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-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]pyridine-3-carboxamide is CC1CCN(Cc2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.C[C@@H]1CN(Cc2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)C[C@H](C)O1.Cc1cc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C(F)(F)F)o1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCNCC3)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cnn2ccccc12.

What is the InChIKey of 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-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]pyridine-3-carboxamide?

The InChIKey is HDQCIZMNEFFBQA-LSZCJTLMSA-N. The full InChI is InChI=1S/C24H24F2N6O2.C24H24F2N6O.C23H22N8O2.C22H21F3N6O3.C22H21F2N7O/c1-13-10-32(11-14(2)34-13)12-15-6-7-18-19(8-15)29-23(28-18)22-20(9-27-31-22)30-24(33)21-16(25)4-3-5-17(21)26;1-14-7-9-32(10-8-14)13-15-5-6-18-19(11-15)29-23(28-18)22-20(12-27-31-22)30-24(33)21-16(25)3-2-4-17(21)26;32-23(16-12-25-31-6-2-1-3-20(16)31)28-19-13-24-29-21(19)22-26-17-5-4-15(11-18(17)27-22)14-30-7-9-33-10-8-30;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;23-14-2-1-3-15(24)19(14)22(32)29-18-11-26-30-20(18)21-27-16-5-4-13(10-17(16)28-21)12-31-8-6-25-7-9-31/h3-9,13-14H,10-12H2,1-2H3,(H,27,31)(H,28,29)(H,30,33);2-6,11-12,14H,7-10,13H2,1H3,(H,27,31)(H,28,29)(H,30,33);1-6,11-13H,7-10,14H2,(H,24,29)(H,26,27)(H,28,32);2-3,8-10H,4-7,11H2,1H3,(H,26,30)(H,27,28)(H,29,32);1-5,10-11,25H,6-9,12H2,(H,26,30)(H,27,28)(H,29,32)/t13-,14+;;;;.

What are the key properties of 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-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]pyridine-3-carboxamide?

2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-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]pyridine-3-carboxamide has a molecular weight of 2271.36 g/mol, XLogP of 18.34, 25 rotatable bonds, 16 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-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]pyridine-3-carboxamide is sourced from PubChem (CID 158448071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).