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;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide

C233H239F6N51O10 — CID 158246335

IUPACN-[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;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]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(OCC(F)(F)C(C)F)c(C(N)=O)c5)cn4)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(c4ncc(-c5ccc(OCC(F)(F)C(C)F)c(C(N)=O)c5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5cccc(C(N)=O)c5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5ccccc5)cc4C(N)=O)CC3)c2c1
InChIInChI=1S/C32H34F3N7O2.C31H32F3N7O2.3C29H30N6O.2C28H28N6O.C27H27N7O/c1-21(33)32(34,35)20-44-29-9-6-22(15-27(29)30(36)43)24-18-39-31(40-19-24)42-13-11-41(12-14-42)10-4-3-5-23-17-38-28-8-7-25(37-2)16-26(23)28;1-20(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;1-31-25-9-10-27-26(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;1-30-24-9-10-26-25(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;1-29-23-7-8-25-24(15-23)21(16-30-25)6-3-9-33-10-12-34(13-11-33)27-31-17-22(18-32-27)19-4-2-5-20(14-19)26(28)35/h6-9,15-19,21,38H,3-5,10-14,20H2,1H3,(H2,36,43);5-8,14-18,20,37H,3-4,9-13,19H2,1H3,(H2,35,42);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);4-11,17-19,31H,2-3,12-16H2,(H2,29,35);2-4,6-7,9-10,16-19,31H,5,8,11-15H2,(H2,29,35);2,4-5,7-8,14-18,30H,3,6,9-13H2,(H2,28,35)
InChIKeyGGDUHCVNYFSGNS-UHFFFAOYSA-N
MW4027.81 g/mol
LogP40.03
Rot. Bonds69

About 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;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]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-[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;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]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 158246335) has the molecular formula C233H239F6N51O10 and a molecular weight of 4027.81 g/mol. Its IUPAC name is 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;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]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-[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;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]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 CID158246335
Molecular FormulaC233H239F6N51O10
Molecular Weight4027.81 g/mol
Exact Mass4024.97
IUPAC NameN-[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;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]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(OCC(F)(F)C(C)F)c(C(N)=O)c5)cn4)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(c4ncc(-c5ccc(OCC(F)(F)C(C)F)c(C(N)=O)c5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5cccc(C(N)=O)c5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5ccccc5)cc4C(N)=O)CC3)c2c1
InChIInChI=1S/C32H34F3N7O2.C31H32F3N7O2.3C29H30N6O.2C28H28N6O.C27H27N7O/c1-21(33)32(34,35)20-44-29-9-6-22(15-27(29)30(36)43)24-18-39-31(40-19-24)42-13-11-41(12-14-42)10-4-3-5-23-17-38-28-8-7-25(37-2)16-26(23)28;1-20(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;1-31-25-9-10-27-26(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;1-30-24-9-10-26-25(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;1-29-23-7-8-25-24(15-23)21(16-30-25)6-3-9-33-10-12-34(13-11-33)27-31-17-22(18-32-27)19-4-2-5-20(14-19)26(28)35/h6-9,15-19,21,38H,3-5,10-14,20H2,1H3,(H2,36,43);5-8,14-18,20,37H,3-4,9-13,19H2,1H3,(H2,35,42);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);4-11,17-19,31H,2-3,12-16H2,(H2,29,35);2-4,6-7,9-10,16-19,31H,5,8,11-15H2,(H2,29,35);2,4-5,7-8,14-18,30H,3,6,9-13H2,(H2,28,35)
InChIKeyGGDUHCVNYFSGNS-UHFFFAOYSA-N
XLogP40.03
TPSA704.02 Ų
H-Bond Donors16
H-Bond Acceptors37
Rotatable Bonds69
Heavy Atoms300
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004027.81
LogP ≤ 540.03
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1037

Analyze 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;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]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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Related Compounds

1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-N-[8-[3-[1-[2-[2-[[4-(aminomethyl)phenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indol-3-yl]-3-oxopropoxy]-6-methyl-3,4-dihydro-2H-chromen-4-yl]-4-fluoropyrrolidine-2-carboxamide
CID 123903036
5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3,3-tetrafluoropropoxy)benzamide
CID 140880421
5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3,3-tetrafluoropropoxy)benzamide
CID 140880430
(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-N-[8-[3-[1-[2-[(2S,4R)-2-[[4-(aminomethyl)phenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indol-3-yl]-3-oxopropoxy]-6-methyl-3,4-dihydro-2H-chromen-4-yl]-4-fluoropyrrolidine-2-carboxamide
CID 144912192
5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethoxy)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-4-yl-2-(trifluoromethyl)benzamide
CID 157121939
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide
CID 157133630
N-[3-[[2-(furan-3-yl)-9-methylpurin-6-yl]amino]-4-methylphenyl]-3-(trifluoromethoxy)benzamide;N-[4-methyl-3-[(9-methyl-2-pyridin-4-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide;4-methyl-3-[[2-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157248494
1-butyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-(3-isoquinolin-7-yl-4-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-(trifluoromethyl)benzamide;N-[4-methyl-3-(7H-purin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 157504220
1-(1-benzofuran-5-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;5,5-difluoro-1-[3-(1H-imidazol-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide;N-(2,6-difluorophenyl)-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide;1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 157568883
2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1-benzylpyrazol-4-yl)-6-fluoroquinoline-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(4-methylphenyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(5-methyl-2-pyridinyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)-2-propoxypyridine-3-carboxamide;2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 157608478
3-[(4-ethylpyrimidin-2-yl)amino]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-methoxy-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)amino]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 157753450
3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[4-fluoro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[2-methoxy-3-[[methyl(propan-2-yl)amino]methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 157787399

Frequently Asked Questions

What is the IUPAC name of 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;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]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-[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;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]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 158246335) is 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;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]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-[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;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]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-[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;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]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(OCC(F)(F)C(C)F)c(C(N)=O)c5)cn4)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(c4ncc(-c5ccc(OCC(F)(F)C(C)F)c(C(N)=O)c5)cn4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ncc(-c5cccc(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-[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;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]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 GGDUHCVNYFSGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N7O2.C31H32F3N7O2.3C29H30N6O.2C28H28N6O.C27H27N7O/c1-21(33)32(34,35)20-44-29-9-6-22(15-27(29)30(36)43)24-18-39-31(40-19-24)42-13-11-41(12-14-42)10-4-3-5-23-17-38-28-8-7-25(37-2)16-26(23)28;1-20(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;1-31-25-9-10-27-26(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;1-30-24-9-10-26-25(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;1-29-23-7-8-25-24(15-23)21(16-30-25)6-3-9-33-10-12-34(13-11-33)27-31-17-22(18-32-27)19-4-2-5-20(14-19)26(28)35/h6-9,15-19,21,38H,3-5,10-14,20H2,1H3,(H2,36,43);5-8,14-18,20,37H,3-4,9-13,19H2,1H3,(H2,35,42);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);4-11,17-19,31H,2-3,12-16H2,(H2,29,35);2-4,6-7,9-10,16-19,31H,5,8,11-15H2,(H2,29,35);2,4-5,7-8,14-18,30H,3,6,9-13H2,(H2,28,35).
What are the key properties of 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;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]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-[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;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]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 4027.81 g/mol, XLogP of 40.03, 69 rotatable bonds, 16 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 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;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]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 158246335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).