2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide

C98H104F4N26O9 — CID 159144714

About 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide

2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide (PubChem CID 159144714) has the molecular formula C98H104F4N26O9 and a molecular weight of 1866.07 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide
• PubChem CID: 159144714
• Molecular Formula: C98H104F4N26O9
• Molecular Weight: 1866.07 g/mol
• Exact Mass: 1864.84
• IUPAC Name: 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide
• SMILES: CC1CCC(N2CCN(Cc3ccc4nc(-c5[nH]ncc5NC(=O)c5c(F)cccc5F)[nH]c4c3)CC2)CC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc2c1OCC2.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccco1.O=C(Nc1cn[nH]c1-c1nc2ccc(CNCCCN3CCOCC3)cc2[nH]1)c1c(F)cccc1F
• InChI: InChI=1S/C29H33F2N7O.C25H27F2N7O2.C24H24N6O3.C20H20N6O3/c1-18-5-8-20(9-6-18)38-13-11-37(12-14-38)17-19-7-10-23-24(15-19)34-28(33-23)27-25(16-32-36-27)35-29(39)26-21(30)3-2-4-22(26)31;26-17-3-1-4-18(27)22(17)25(35)32-21-15-29-33-23(21)24-30-19-6-5-16(13-20(19)31-24)14-28-7-2-8-34-9-11-36-12-10-34;31-24(17-3-1-2-16-6-9-33-22(16)17)28-20-13-25-29-21(20)23-26-18-5-4-15(12-19(18)27-23)14-30-7-10-32-11-8-30;27-20(17-2-1-7-29-17)24-16-11-21-25-18(16)19-22-14-4-3-13(10-15(14)23-19)12-26-5-8-28-9-6-26/h2-4,7,10,15-16,18,20H,5-6,8-9,11-14,17H2,1H3,(H,32,36)(H,33,34)(H,35,39);1,3-6,13,15,28H,2,7-12,14H2,(H,29,33)(H,30,31)(H,32,35);1-5,12-13H,6-11,14H2,(H,25,29)(H,26,27)(H,28,31);1-4,7,10-11H,5-6,8-9,12H2,(H,21,25)(H,22,23)(H,24,27)
• InChIKey: KINOYPGFGYDEFH-UHFFFAOYSA-N
• XLogP: 14.08
• TPSA: 424.13 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1866.07
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide?

The IUPAC name of 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide (CID 159144714) is 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide.

What is the SMILES notation for 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide?

The canonical SMILES for 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide is CC1CCC(N2CCN(Cc3ccc4nc(-c5[nH]ncc5NC(=O)c5c(F)cccc5F)[nH]c4c3)CC2)CC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc2c1OCC2.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccco1.O=C(Nc1cn[nH]c1-c1nc2ccc(CNCCCN3CCOCC3)cc2[nH]1)c1c(F)cccc1F.

What is the InChIKey of 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide?

The InChIKey is KINOYPGFGYDEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N7O.C25H27F2N7O2.C24H24N6O3.C20H20N6O3/c1-18-5-8-20(9-6-18)38-13-11-37(12-14-38)17-19-7-10-23-24(15-19)34-28(33-23)27-25(16-32-36-27)35-29(39)26-21(30)3-2-4-22(26)31;26-17-3-1-4-18(27)22(17)25(35)32-21-15-29-33-23(21)24-30-19-6-5-16(13-20(19)31-24)14-28-7-2-8-34-9-11-36-12-10-34;31-24(17-3-1-2-16-6-9-33-22(16)17)28-20-13-25-29-21(20)23-26-18-5-4-15(12-19(18)27-23)14-30-7-10-32-11-8-30;27-20(17-2-1-7-29-17)24-16-11-21-25-18(16)19-22-14-4-3-13(10-15(14)23-19)12-26-5-8-28-9-6-26/h2-4,7,10,15-16,18,20H,5-6,8-9,11-14,17H2,1H3,(H,32,36)(H,33,34)(H,35,39);1,3-6,13,15,28H,2,7-12,14H2,(H,29,33)(H,30,31)(H,32,35);1-5,12-13H,6-11,14H2,(H,25,29)(H,26,27)(H,28,31);1-4,7,10-11H,5-6,8-9,12H2,(H,21,25)(H,22,23)(H,24,27).

What are the key properties of 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide?

2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 1866.07 g/mol, XLogP of 14.08, 25 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 159144714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).