tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2,6-difluoro-N-[5-[6-hydroxy-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide

C95H91F8N23O13 — CID 159055576

About tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2,6-difluoro-N-[5-[6-hydroxy-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide

tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2,6-difluoro-N-[5-[6-hydroxy-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide (PubChem CID 159055576) has the molecular formula C95H91F8N23O13 and a molecular weight of 1914.90 g/mol. Its IUPAC name is tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2,6-difluoro-N-[5-[6-hydroxy-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide.

Molecular Properties

• Compound Name: tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2,6-difluoro-N-[5-[6-hydroxy-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide
• PubChem CID: 159055576
• Molecular Formula: C95H91F8N23O13
• Molecular Weight: 1914.90 g/mol
• Exact Mass: 1913.70
• IUPAC Name: tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2,6-difluoro-N-[5-[6-hydroxy-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide
• SMILES: CC(C)(C)OC(=O)N1CCC(CCOc2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.CCOc1cc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2cc1C(=O)N1CCOCC1.O=C(Nc1cn[nH]c1-c1nc2c(CO)cc(O)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(OCCC3CCNCC3)cc2[nH]1)c1c(F)cccc1F
• InChI: InChI=1S/C29H32F2N6O4.C24H22F2N6O4.C24H24F2N6O2.C18H13F2N5O3/c1-29(2,3)41-28(39)37-12-9-17(10-13-37)11-14-40-18-7-8-21-22(15-18)34-26(33-21)25-23(16-32-36-25)35-27(38)24-19(30)5-4-6-20(24)31;1-2-36-19-11-17-16(10-13(19)24(34)32-6-8-35-9-7-32)28-22(29-17)21-18(12-27-31-21)30-23(33)20-14(25)4-3-5-15(20)26;25-16-2-1-3-17(26)21(16)24(33)31-20-13-28-32-22(20)23-29-18-5-4-15(12-19(18)30-23)34-11-8-14-6-9-27-10-7-14;19-10-2-1-3-11(20)14(10)18(28)23-13-6-21-25-16(13)17-22-12-5-9(27)4-8(7-26)15(12)24-17/h4-8,15-17H,9-14H2,1-3H3,(H,32,36)(H,33,34)(H,35,38);3-5,10-12H,2,6-9H2,1H3,(H,27,31)(H,28,29)(H,30,33);1-5,12-14,27H,6-11H2,(H,28,32)(H,29,30)(H,31,33);1-6,26-27H,7H2,(H,21,25)(H,22,24)(H,23,28)
• InChIKey: JXUVKYYDXINZNA-UHFFFAOYSA-N
• XLogP: 16.19
• TPSA: 485.10 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1914.90
LogP ≤ 5	16.19
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2,6-difluoro-N-[5-[6-hydroxy-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide?

The IUPAC name of tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2,6-difluoro-N-[5-[6-hydroxy-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide (CID 159055576) is tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2,6-difluoro-N-[5-[6-hydroxy-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide.

What is the SMILES notation for tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2,6-difluoro-N-[5-[6-hydroxy-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide?

The canonical SMILES for tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2,6-difluoro-N-[5-[6-hydroxy-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide is CC(C)(C)OC(=O)N1CCC(CCOc2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.CCOc1cc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2cc1C(=O)N1CCOCC1.O=C(Nc1cn[nH]c1-c1nc2c(CO)cc(O)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(OCCC3CCNCC3)cc2[nH]1)c1c(F)cccc1F.

What is the InChIKey of tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2,6-difluoro-N-[5-[6-hydroxy-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide?

The InChIKey is JXUVKYYDXINZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N6O4.C24H22F2N6O4.C24H24F2N6O2.C18H13F2N5O3/c1-29(2,3)41-28(39)37-12-9-17(10-13-37)11-14-40-18-7-8-21-22(15-18)34-26(33-21)25-23(16-32-36-25)35-27(38)24-19(30)5-4-6-20(24)31;1-2-36-19-11-17-16(10-13(19)24(34)32-6-8-35-9-7-32)28-22(29-17)21-18(12-27-31-21)30-23(33)20-14(25)4-3-5-15(20)26;25-16-2-1-3-17(26)21(16)24(33)31-20-13-28-32-22(20)23-29-18-5-4-15(12-19(18)30-23)34-11-8-14-6-9-27-10-7-14;19-10-2-1-3-11(20)14(10)18(28)23-13-6-21-25-16(13)17-22-12-5-9(27)4-8(7-26)15(12)24-17/h4-8,15-17H,9-14H2,1-3H3,(H,32,36)(H,33,34)(H,35,38);3-5,10-12H,2,6-9H2,1H3,(H,27,31)(H,28,29)(H,30,33);1-5,12-14,27H,6-11H2,(H,28,32)(H,29,30)(H,31,33);1-6,26-27H,7H2,(H,21,25)(H,22,24)(H,23,28).

What are the key properties of tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2,6-difluoro-N-[5-[6-hydroxy-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide?

tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2,6-difluoro-N-[5-[6-hydroxy-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide has a molecular weight of 1914.90 g/mol, XLogP of 16.19, 24 rotatable bonds, 15 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2,6-difluoro-N-[5-[6-hydroxy-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 159055576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).