N-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;3-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide

C318H322F7N67O13 — CID 160974377

IUPACN-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;3-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide
SMILES[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ccc(-c5ccc(C(N)=O)cc5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ccc(-c5cccc(C(N)=O)c5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5ccc(F)cc5)cc4NC=O)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5ccc(F)cc5OC)cc4NC=O)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5ccccc5)cc4NC=O)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ccc(-c5ccc(C(N)=O)cc5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ccc(-c5cccc(C(N)=O)c5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5ccc(F)cc5)cc4C(N)=O)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5ccc(F)cc5C)cc4C(N)=O)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5ccc(OCC(F)(F)C(C)F)c(C(N)=O)c5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5ccccc5)cc4C(N)=O)CC3)c2c1
InChIInChI=1S/C31H32F3N7O2.C30H31FN6O2.2C29H29FN6O.3C29H30N6O.C28H27FN6O.3C28H28N6O/c1-20(32)31(33,34)19-43-28-8-5-21(14-26(28)29(35)42)23-17-38-30(39-18-23)41-12-10-40(11-13-41)9-3-4-22-16-37-27-7-6-24(36-2)15-25(22)27;1-32-24-7-9-27-26(17-24)21(18-33-27)5-3-4-10-36-11-13-37(14-12-36)30-28(35-20-38)15-22(19-34-30)25-8-6-23(31)16-29(25)39-2;1-19-14-22(30)5-7-24(19)21-15-26(28(31)37)29(34-18-21)36-12-10-35(11-13-36)9-3-4-20-17-33-27-8-6-23(32-2)16-25(20)27;1-31-25-9-10-27-26(17-25)22(18-32-27)4-2-3-11-35-12-14-36(15-13-35)29-28(34-20-37)16-23(19-33-29)21-5-7-24(30)8-6-21;1-31-25-9-10-27-26(18-25)24(20-32-27)5-2-3-12-34-13-15-35(16-14-34)28-11-8-23(19-33-28)21-6-4-7-22(17-21)29(30)36;1-31-25-10-11-27-26(18-25)24(20-32-27)4-2-3-13-34-14-16-35(17-15-34)28-12-9-23(19-33-28)21-5-7-22(8-6-21)29(30)36;1-30-25-10-11-27-26(18-25)23(19-31-27)9-5-6-12-34-13-15-35(16-14-34)29-28(33-21-36)17-24(20-32-29)22-7-3-2-4-8-22;1-31-23-8-9-26-24(16-23)20(17-32-26)3-2-10-34-11-13-35(14-12-34)28-25(27(30)36)15-21(18-33-28)19-4-6-22(29)7-5-19;1-30-24-8-9-26-25(17-24)23(19-31-26)6-3-11-33-12-14-34(15-13-33)27-10-7-22(18-32-27)20-4-2-5-21(16-20)28(29)35;1-30-24-9-10-26-25(17-24)23(19-31-26)3-2-12-33-13-15-34(16-14-33)27-11-8-22(18-32-27)20-4-6-21(7-5-20)28(29)35;1-30-23-9-10-26-24(17-23)21(18-31-26)8-5-11-33-12-14-34(15-13-33)28-25(27(29)35)16-22(19-32-28)20-6-3-2-4-7-20/h5-8,14-18,20,37H,3-4,9-13,19H2,1H3,(H2,35,42);6-9,15-20,33H,3-5,10-14H2,2H3,(H,35,38);5-8,14-18,33H,3-4,9-13H2,1H3,(H2,31,37);5-10,16-20,32H,2-4,11-15H2,(H,34,37);4,6-11,17-20,32H,2-3,5,12-16H2,(H2,30,36);5-12,18-20,32H,2-4,13-17H2,(H2,30,36);2-4,7-8,10-11,17-21,31H,5-6,9,12-16H2,(H,33,36);4-9,15-18,32H,2-3,10-14H2,(H2,30,36);2,4-5,7-10,16-19,31H,3,6,11-15H2,(H2,29,35);4-11,17-19,31H,2-3,12-16H2,(H2,29,35);2-4,6-7,9-10,16-19,31H,5,8,11-15H2,(H2,29,35)
InChIKeySYRAAHVKPDNSHK-UHFFFAOYSA-N
MW5423.52 g/mol
LogP55.98
Rot. Bonds90

About N-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;3-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide

N-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;3-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide (PubChem CID 160974377) has the molecular formula C318H322F7N67O13 and a molecular weight of 5423.52 g/mol. Its IUPAC name is N-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;3-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide.

Molecular Properties

Compound NameN-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;3-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide
PubChem CID160974377
Molecular FormulaC318H322F7N67O13
Molecular Weight5423.52 g/mol
Exact Mass5419.65
IUPAC NameN-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;3-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide
SMILES[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ccc(-c5ccc(C(N)=O)cc5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ccc(-c5cccc(C(N)=O)c5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5ccc(F)cc5)cc4NC=O)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5ccc(F)cc5OC)cc4NC=O)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5ccccc5)cc4NC=O)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ccc(-c5ccc(C(N)=O)cc5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ccc(-c5cccc(C(N)=O)c5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5ccc(F)cc5)cc4C(N)=O)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5ccc(F)cc5C)cc4C(N)=O)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5ccc(OCC(F)(F)C(C)F)c(C(N)=O)c5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5ccccc5)cc4C(N)=O)CC3)c2c1
InChIInChI=1S/C31H32F3N7O2.C30H31FN6O2.2C29H29FN6O.3C29H30N6O.C28H27FN6O.3C28H28N6O/c1-20(32)31(33,34)19-43-28-8-5-21(14-26(28)29(35)42)23-17-38-30(39-18-23)41-12-10-40(11-13-41)9-3-4-22-16-37-27-7-6-24(36-2)15-25(22)27;1-32-24-7-9-27-26(17-24)21(18-33-27)5-3-4-10-36-11-13-37(14-12-36)30-28(35-20-38)15-22(19-34-30)25-8-6-23(31)16-29(25)39-2;1-19-14-22(30)5-7-24(19)21-15-26(28(31)37)29(34-18-21)36-12-10-35(11-13-36)9-3-4-20-17-33-27-8-6-23(32-2)16-25(20)27;1-31-25-9-10-27-26(17-25)22(18-32-27)4-2-3-11-35-12-14-36(15-13-35)29-28(34-20-37)16-23(19-33-29)21-5-7-24(30)8-6-21;1-31-25-9-10-27-26(18-25)24(20-32-27)5-2-3-12-34-13-15-35(16-14-34)28-11-8-23(19-33-28)21-6-4-7-22(17-21)29(30)36;1-31-25-10-11-27-26(18-25)24(20-32-27)4-2-3-13-34-14-16-35(17-15-34)28-12-9-23(19-33-28)21-5-7-22(8-6-21)29(30)36;1-30-25-10-11-27-26(18-25)23(19-31-27)9-5-6-12-34-13-15-35(16-14-34)29-28(33-21-36)17-24(20-32-29)22-7-3-2-4-8-22;1-31-23-8-9-26-24(16-23)20(17-32-26)3-2-10-34-11-13-35(14-12-34)28-25(27(30)36)15-21(18-33-28)19-4-6-22(29)7-5-19;1-30-24-8-9-26-25(17-24)23(19-31-26)6-3-11-33-12-14-34(15-13-33)27-10-7-22(18-32-27)20-4-2-5-21(16-20)28(29)35;1-30-24-9-10-26-25(17-24)23(19-31-26)3-2-12-33-13-15-34(16-14-33)27-11-8-22(18-32-27)20-4-6-21(7-5-20)28(29)35;1-30-23-9-10-26-24(17-23)21(18-31-26)8-5-11-33-12-14-34(15-13-33)28-25(27(29)35)16-22(19-32-28)20-6-3-2-4-7-20/h5-8,14-18,20,37H,3-4,9-13,19H2,1H3,(H2,35,42);6-9,15-20,33H,3-5,10-14H2,2H3,(H,35,38);5-8,14-18,33H,3-4,9-13H2,1H3,(H2,31,37);5-10,16-20,32H,2-4,11-15H2,(H,34,37);4,6-11,17-20,32H,2-3,5,12-16H2,(H2,30,36);5-12,18-20,32H,2-4,13-17H2,(H2,30,36);2-4,7-8,10-11,17-21,31H,5-6,9,12-16H2,(H,33,36);4-9,15-18,32H,2-3,10-14H2,(H2,30,36);2,4-5,7-10,16-19,31H,3,6,11-15H2,(H2,29,35);4-11,17-19,31H,2-3,12-16H2,(H2,29,35);2-4,6-7,9-10,16-19,31H,5,8,11-15H2,(H2,29,35)
InChIKeySYRAAHVKPDNSHK-UHFFFAOYSA-N
XLogP55.98
TPSA898.09 Ų
H-Bond Donors22
H-Bond Acceptors47
Rotatable Bonds90
Heavy Atoms405
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005423.52
LogP ≤ 555.98
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1047

Analyze N-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;3-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;3-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide?
The IUPAC name of N-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;3-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide (CID 160974377) is N-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;3-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide.
What is the SMILES notation for N-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;3-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide?
The canonical SMILES for N-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;3-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide is [C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ccc(-c5ccc(C(N)=O)cc5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ccc(-c5cccc(C(N)=O)c5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5ccc(F)cc5)cc4NC=O)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5ccc(F)cc5OC)cc4NC=O)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5ccccc5)cc4NC=O)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ccc(-c5ccc(C(N)=O)cc5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ccc(-c5cccc(C(N)=O)c5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5ccc(F)cc5)cc4C(N)=O)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5ccc(F)cc5C)cc4C(N)=O)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5ccc(OCC(F)(F)C(C)F)c(C(N)=O)c5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5ccccc5)cc4C(N)=O)CC3)c2c1.
What is the InChIKey of N-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;3-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide?
The InChIKey is SYRAAHVKPDNSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N7O2.C30H31FN6O2.2C29H29FN6O.3C29H30N6O.C28H27FN6O.3C28H28N6O/c1-20(32)31(33,34)19-43-28-8-5-21(14-26(28)29(35)42)23-17-38-30(39-18-23)41-12-10-40(11-13-41)9-3-4-22-16-37-27-7-6-24(36-2)15-25(22)27;1-32-24-7-9-27-26(17-24)21(18-33-27)5-3-4-10-36-11-13-37(14-12-36)30-28(35-20-38)15-22(19-34-30)25-8-6-23(31)16-29(25)39-2;1-19-14-22(30)5-7-24(19)21-15-26(28(31)37)29(34-18-21)36-12-10-35(11-13-36)9-3-4-20-17-33-27-8-6-23(32-2)16-25(20)27;1-31-25-9-10-27-26(17-25)22(18-32-27)4-2-3-11-35-12-14-36(15-13-35)29-28(34-20-37)16-23(19-33-29)21-5-7-24(30)8-6-21;1-31-25-9-10-27-26(18-25)24(20-32-27)5-2-3-12-34-13-15-35(16-14-34)28-11-8-23(19-33-28)21-6-4-7-22(17-21)29(30)36;1-31-25-10-11-27-26(18-25)24(20-32-27)4-2-3-13-34-14-16-35(17-15-34)28-12-9-23(19-33-28)21-5-7-22(8-6-21)29(30)36;1-30-25-10-11-27-26(18-25)23(19-31-27)9-5-6-12-34-13-15-35(16-14-34)29-28(33-21-36)17-24(20-32-29)22-7-3-2-4-8-22;1-31-23-8-9-26-24(16-23)20(17-32-26)3-2-10-34-11-13-35(14-12-34)28-25(27(30)36)15-21(18-33-28)19-4-6-22(29)7-5-19;1-30-24-8-9-26-25(17-24)23(19-31-26)6-3-11-33-12-14-34(15-13-33)27-10-7-22(18-32-27)20-4-2-5-21(16-20)28(29)35;1-30-24-9-10-26-25(17-24)23(19-31-26)3-2-12-33-13-15-34(16-14-33)27-11-8-22(18-32-27)20-4-6-21(7-5-20)28(29)35;1-30-23-9-10-26-24(17-23)21(18-31-26)8-5-11-33-12-14-34(15-13-33)28-25(27(29)35)16-22(19-32-28)20-6-3-2-4-7-20/h5-8,14-18,20,37H,3-4,9-13,19H2,1H3,(H2,35,42);6-9,15-20,33H,3-5,10-14H2,2H3,(H,35,38);5-8,14-18,33H,3-4,9-13H2,1H3,(H2,31,37);5-10,16-20,32H,2-4,11-15H2,(H,34,37);4,6-11,17-20,32H,2-3,5,12-16H2,(H2,30,36);5-12,18-20,32H,2-4,13-17H2,(H2,30,36);2-4,7-8,10-11,17-21,31H,5-6,9,12-16H2,(H,33,36);4-9,15-18,32H,2-3,10-14H2,(H2,30,36);2,4-5,7-10,16-19,31H,3,6,11-15H2,(H2,29,35);4-11,17-19,31H,2-3,12-16H2,(H2,29,35);2-4,6-7,9-10,16-19,31H,5,8,11-15H2,(H2,29,35).
What are the key properties of N-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;3-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide?
N-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;3-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide has a molecular weight of 5423.52 g/mol, XLogP of 55.98, 90 rotatable bonds, 22 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;3-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide is sourced from PubChem (CID 160974377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).