N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-(dimethylamino)acetamide;8-[4-[(dimethylamino)methyl]phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one;2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole;4-[3-(1H-indol-4-yl)isoquinolin-1-yl]morpholine

C93H103F2N21O7 — CID 162130824

About N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-(dimethylamino)acetamide;8-[4-[(dimethylamino)methyl]phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one;2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole;4-[3-(1H-indol-4-yl)isoquinolin-1-yl]morpholine

N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-(dimethylamino)acetamide;8-[4-[(dimethylamino)methyl]phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one;2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole;4-[3-(1H-indol-4-yl)isoquinolin-1-yl]morpholine (PubChem CID 162130824) has the molecular formula C93H103F2N21O7 and a molecular weight of 1664.98 g/mol. Its IUPAC name is N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-(dimethylamino)acetamide;8-[4-[(dimethylamino)methyl]phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one;2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole;4-[3-(1H-indol-4-yl)isoquinolin-1-yl]morpholine.

Molecular Properties

• Compound Name: N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-(dimethylamino)acetamide;8-[4-[(dimethylamino)methyl]phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one;2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole;4-[3-(1H-indol-4-yl)isoquinolin-1-yl]morpholine
• PubChem CID: 162130824
• Molecular Formula: C93H103F2N21O7
• Molecular Weight: 1664.98 g/mol
• Exact Mass: 1663.83
• IUPAC Name: N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-(dimethylamino)acetamide;8-[4-[(dimethylamino)methyl]phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one;2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole;4-[3-(1H-indol-4-yl)isoquinolin-1-yl]morpholine
• SMILES: CC(C)N1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1.CN(C)CC(=O)NC1CCC(Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1.CN(C)Cc1ccc(-c2cccc3c(=O)nc(N4CCOCC4)oc23)cc1.c1ccc2c(N3CCOCC3)nc(-c3cccc4[nH]ccc34)cc2c1
• InChI: InChI=1S/C26H28N6O.C25H33F2N9O2.C21H23N3O3.C21H19N3O/c1-17(2)32-10-8-31(9-11-32)16-19-14-28-26(33-19)22-12-18(13-25-23(22)15-29-30-25)20-4-3-5-24-21(20)6-7-27-24;1-34(2)15-20(37)28-16-7-9-17(10-8-16)29-23-31-24(35-11-13-38-14-12-35)33-25(32-23)36-19-6-4-3-5-18(19)30-22(36)21(26)27;1-23(2)14-15-6-8-16(9-7-15)17-4-3-5-18-19(17)27-21(22-20(18)25)24-10-12-26-13-11-24;1-2-5-16-15(4-1)14-20(23-21(16)24-10-12-25-13-11-24)17-6-3-7-19-18(17)8-9-22-19/h3-7,12-15,17,27H,8-11,16H2,1-2H3,(H,29,30);3-6,16-17,21H,7-15H2,1-2H3,(H,28,37)(H,29,31,32,33);3-9H,10-14H2,1-2H3;1-9,14,22H,10-13H2
• InChIKey: ZIQIHKXIIQTDCO-UHFFFAOYSA-N
• XLogP: 14.25
• TPSA: 290.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1664.98
LogP ≤ 5	14.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-(dimethylamino)acetamide;8-[4-[(dimethylamino)methyl]phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one;2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole;4-[3-(1H-indol-4-yl)isoquinolin-1-yl]morpholine?

The IUPAC name of N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-(dimethylamino)acetamide;8-[4-[(dimethylamino)methyl]phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one;2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole;4-[3-(1H-indol-4-yl)isoquinolin-1-yl]morpholine (CID 162130824) is N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-(dimethylamino)acetamide;8-[4-[(dimethylamino)methyl]phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one;2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole;4-[3-(1H-indol-4-yl)isoquinolin-1-yl]morpholine.

What is the SMILES notation for N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-(dimethylamino)acetamide;8-[4-[(dimethylamino)methyl]phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one;2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole;4-[3-(1H-indol-4-yl)isoquinolin-1-yl]morpholine?

The canonical SMILES for N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-(dimethylamino)acetamide;8-[4-[(dimethylamino)methyl]phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one;2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole;4-[3-(1H-indol-4-yl)isoquinolin-1-yl]morpholine is CC(C)N1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1.CN(C)CC(=O)NC1CCC(Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1.CN(C)Cc1ccc(-c2cccc3c(=O)nc(N4CCOCC4)oc23)cc1.c1ccc2c(N3CCOCC3)nc(-c3cccc4[nH]ccc34)cc2c1.

What is the InChIKey of N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-(dimethylamino)acetamide;8-[4-[(dimethylamino)methyl]phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one;2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole;4-[3-(1H-indol-4-yl)isoquinolin-1-yl]morpholine?

The InChIKey is ZIQIHKXIIQTDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O.C25H33F2N9O2.C21H23N3O3.C21H19N3O/c1-17(2)32-10-8-31(9-11-32)16-19-14-28-26(33-19)22-12-18(13-25-23(22)15-29-30-25)20-4-3-5-24-21(20)6-7-27-24;1-34(2)15-20(37)28-16-7-9-17(10-8-16)29-23-31-24(35-11-13-38-14-12-35)33-25(32-23)36-19-6-4-3-5-18(19)30-22(36)21(26)27;1-23(2)14-15-6-8-16(9-7-15)17-4-3-5-18-19(17)27-21(22-20(18)25)24-10-12-26-13-11-24;1-2-5-16-15(4-1)14-20(23-21(16)24-10-12-25-13-11-24)17-6-3-7-19-18(17)8-9-22-19/h3-7,12-15,17,27H,8-11,16H2,1-2H3,(H,29,30);3-6,16-17,21H,7-15H2,1-2H3,(H,28,37)(H,29,31,32,33);3-9H,10-14H2,1-2H3;1-9,14,22H,10-13H2.

What are the key properties of N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-(dimethylamino)acetamide;8-[4-[(dimethylamino)methyl]phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one;2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole;4-[3-(1H-indol-4-yl)isoquinolin-1-yl]morpholine?

N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-(dimethylamino)acetamide;8-[4-[(dimethylamino)methyl]phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one;2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole;4-[3-(1H-indol-4-yl)isoquinolin-1-yl]morpholine has a molecular weight of 1664.98 g/mol, XLogP of 14.25, 19 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-(dimethylamino)acetamide;8-[4-[(dimethylamino)methyl]phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one;2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole;4-[3-(1H-indol-4-yl)isoquinolin-1-yl]morpholine is sourced from PubChem (CID 162130824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).