4-(1,3-benzoxazol-7-yl)-1-[4-(5-ethynyl-2-pyridinyl)piperazin-1-yl]butan-1-one;3-[cyclobutyl([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)amino]-1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one;1-[8-(5-ethenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(6-methylpyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]methoxy]propan-1-one;1-[8-(5-phenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one

C143H161F3N36O10 — CID 167665223

IUPAC4-(1,3-benzoxazol-7-yl)-1-[4-(5-ethynyl-2-pyridinyl)piperazin-1-yl]butan-1-one;3-[cyclobutyl([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)amino]-1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one;1-[8-(5-ethenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(6-methylpyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]methoxy]propan-1-one;1-[8-(5-phenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one
SMILESC#Cc1ccc(N2CCN(C(=O)CCCc3cccc4ncoc34)CC2)nc1.C=Cc1ccc(N2C3CCC2CN(C(=O)CCOCc2cccn4ncnc24)C3)nc1.Cc1ccc(N2C3CCC2CN(C(=O)CCN(Cc2cccc4ncnn24)C2CCC2)C3)nc1.Cc1ccc(N2C3CCC2CN(C(=O)CCOCc2cccc4ncc(C(F)(F)F)n24)C3)nc1.Cc1ccc(N2C3CCC2CN(C(=O)CCOCc2cccn4ncnc24)C3)nn1.O=C(CCNCc1cccc2ncnn12)N1CC2CCC(C1)N2c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C27H29N7O.C26H33N7O.C24H26F3N5O2.C23H26N6O2.C22H22N4O2.C21H25N7O2/c35-27(13-14-28-16-22-7-4-8-26-30-19-31-34(22)26)32-17-23-10-11-24(18-32)33(23)25-12-9-21(15-29-25)20-5-2-1-3-6-20;1-19-8-11-24(27-14-19)32-21-9-10-22(32)16-31(15-21)26(34)12-13-30(20-4-2-5-20)17-23-6-3-7-25-28-18-29-33(23)25;1-16-5-8-22(28-11-16)31-17-6-7-18(31)14-30(13-17)23(33)9-10-34-15-19-3-2-4-21-29-12-20(32(19)21)24(25,26)27;1-2-17-5-8-21(24-12-17)29-19-6-7-20(29)14-27(13-19)22(30)9-11-31-15-18-4-3-10-28-23(18)25-16-26-28;1-2-17-9-10-20(23-15-17)25-11-13-26(14-12-25)21(27)8-4-6-18-5-3-7-19-22(18)28-16-24-19;1-15-4-7-19(25-24-15)28-17-5-6-18(28)12-26(11-17)20(29)8-10-30-13-16-3-2-9-27-21(16)22-14-23-27/h1-9,12,15,19,23-24,28H,10-11,13-14,16-18H2;3,6-8,11,14,18,20-22H,2,4-5,9-10,12-13,15-17H2,1H3;2-5,8,11-12,17-18H,6-7,9-10,13-15H2,1H3;2-5,8,10,12,16,19-20H,1,6-7,9,11,13-15H2;1,3,5,7,9-10,15-16H,4,6,8,11-14H2;2-4,7,9,14,17-18H,5-6,8,10-13H2,1H3
InChIKeySNNSSTPDMYVQCM-UHFFFAOYSA-N
MW2601.10 g/mol
LogP17.09
Rot. Bonds38

About 4-(1,3-benzoxazol-7-yl)-1-[4-(5-ethynyl-2-pyridinyl)piperazin-1-yl]butan-1-one;3-[cyclobutyl([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)amino]-1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one;1-[8-(5-ethenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(6-methylpyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]methoxy]propan-1-one;1-[8-(5-phenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one

4-(1,3-benzoxazol-7-yl)-1-[4-(5-ethynyl-2-pyridinyl)piperazin-1-yl]butan-1-one;3-[cyclobutyl([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)amino]-1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one;1-[8-(5-ethenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(6-methylpyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]methoxy]propan-1-one;1-[8-(5-phenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one (PubChem CID 167665223) has the molecular formula C143H161F3N36O10 and a molecular weight of 2601.10 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-7-yl)-1-[4-(5-ethynyl-2-pyridinyl)piperazin-1-yl]butan-1-one;3-[cyclobutyl([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)amino]-1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one;1-[8-(5-ethenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(6-methylpyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]methoxy]propan-1-one;1-[8-(5-phenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name4-(1,3-benzoxazol-7-yl)-1-[4-(5-ethynyl-2-pyridinyl)piperazin-1-yl]butan-1-one;3-[cyclobutyl([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)amino]-1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one;1-[8-(5-ethenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(6-methylpyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]methoxy]propan-1-one;1-[8-(5-phenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one
PubChem CID167665223
Molecular FormulaC143H161F3N36O10
Molecular Weight2601.10 g/mol
Exact Mass2599.31
IUPAC Name4-(1,3-benzoxazol-7-yl)-1-[4-(5-ethynyl-2-pyridinyl)piperazin-1-yl]butan-1-one;3-[cyclobutyl([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)amino]-1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one;1-[8-(5-ethenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(6-methylpyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]methoxy]propan-1-one;1-[8-(5-phenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one
SMILESC#Cc1ccc(N2CCN(C(=O)CCCc3cccc4ncoc34)CC2)nc1.C=Cc1ccc(N2C3CCC2CN(C(=O)CCOCc2cccn4ncnc24)C3)nc1.Cc1ccc(N2C3CCC2CN(C(=O)CCN(Cc2cccc4ncnn24)C2CCC2)C3)nc1.Cc1ccc(N2C3CCC2CN(C(=O)CCOCc2cccc4ncc(C(F)(F)F)n24)C3)nc1.Cc1ccc(N2C3CCC2CN(C(=O)CCOCc2cccn4ncnc24)C3)nn1.O=C(CCNCc1cccc2ncnn12)N1CC2CCC(C1)N2c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C27H29N7O.C26H33N7O.C24H26F3N5O2.C23H26N6O2.C22H22N4O2.C21H25N7O2/c35-27(13-14-28-16-22-7-4-8-26-30-19-31-34(22)26)32-17-23-10-11-24(18-32)33(23)25-12-9-21(15-29-25)20-5-2-1-3-6-20;1-19-8-11-24(27-14-19)32-21-9-10-22(32)16-31(15-21)26(34)12-13-30(20-4-2-5-20)17-23-6-3-7-25-28-18-29-33(23)25;1-16-5-8-22(28-11-16)31-17-6-7-18(31)14-30(13-17)23(33)9-10-34-15-19-3-2-4-21-29-12-20(32(19)21)24(25,26)27;1-2-17-5-8-21(24-12-17)29-19-6-7-20(29)14-27(13-19)22(30)9-11-31-15-18-4-3-10-28-23(18)25-16-26-28;1-2-17-9-10-20(23-15-17)25-11-13-26(14-12-25)21(27)8-4-6-18-5-3-7-19-22(18)28-16-24-19;1-15-4-7-19(25-24-15)28-17-5-6-18(28)12-26(11-17)20(29)8-10-30-13-16-3-2-9-27-21(16)22-14-23-27/h1-9,12,15,19,23-24,28H,10-11,13-14,16-18H2;3,6-8,11,14,18,20-22H,2,4-5,9-10,12-13,15-17H2,1H3;2-5,8,11-12,17-18H,6-7,9-10,13-15H2,1H3;2-5,8,10,12,16,19-20H,1,6-7,9,11,13-15H2;1,3,5,7,9-10,15-16H,4,6,8,11-14H2;2-4,7,9,14,17-18H,5-6,8,10-13H2,1H3
InChIKeySNNSSTPDMYVQCM-UHFFFAOYSA-N
XLogP17.09
TPSA438.58 Ų
H-Bond Donors1
H-Bond Acceptors40
Rotatable Bonds38
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002601.10
LogP ≤ 517.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 4-(1,3-benzoxazol-7-yl)-1-[4-(5-ethynyl-2-pyridinyl)piperazin-1-yl]butan-1-one;3-[cyclobutyl([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)amino]-1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one;1-[8-(5-ethenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(6-methylpyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]methoxy]propan-1-one;1-[8-(5-phenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-7-yl)-1-[4-(5-ethynyl-2-pyridinyl)piperazin-1-yl]butan-1-one;3-[cyclobutyl([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)amino]-1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one;1-[8-(5-ethenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(6-methylpyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]methoxy]propan-1-one;1-[8-(5-phenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one?
The IUPAC name of 4-(1,3-benzoxazol-7-yl)-1-[4-(5-ethynyl-2-pyridinyl)piperazin-1-yl]butan-1-one;3-[cyclobutyl([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)amino]-1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one;1-[8-(5-ethenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(6-methylpyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]methoxy]propan-1-one;1-[8-(5-phenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one (CID 167665223) is 4-(1,3-benzoxazol-7-yl)-1-[4-(5-ethynyl-2-pyridinyl)piperazin-1-yl]butan-1-one;3-[cyclobutyl([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)amino]-1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one;1-[8-(5-ethenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(6-methylpyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]methoxy]propan-1-one;1-[8-(5-phenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one.
What is the SMILES notation for 4-(1,3-benzoxazol-7-yl)-1-[4-(5-ethynyl-2-pyridinyl)piperazin-1-yl]butan-1-one;3-[cyclobutyl([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)amino]-1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one;1-[8-(5-ethenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(6-methylpyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]methoxy]propan-1-one;1-[8-(5-phenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one?
The canonical SMILES for 4-(1,3-benzoxazol-7-yl)-1-[4-(5-ethynyl-2-pyridinyl)piperazin-1-yl]butan-1-one;3-[cyclobutyl([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)amino]-1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one;1-[8-(5-ethenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(6-methylpyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]methoxy]propan-1-one;1-[8-(5-phenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one is C#Cc1ccc(N2CCN(C(=O)CCCc3cccc4ncoc34)CC2)nc1.C=Cc1ccc(N2C3CCC2CN(C(=O)CCOCc2cccn4ncnc24)C3)nc1.Cc1ccc(N2C3CCC2CN(C(=O)CCN(Cc2cccc4ncnn24)C2CCC2)C3)nc1.Cc1ccc(N2C3CCC2CN(C(=O)CCOCc2cccc4ncc(C(F)(F)F)n24)C3)nc1.Cc1ccc(N2C3CCC2CN(C(=O)CCOCc2cccn4ncnc24)C3)nn1.O=C(CCNCc1cccc2ncnn12)N1CC2CCC(C1)N2c1ccc(-c2ccccc2)cn1.
What is the InChIKey of 4-(1,3-benzoxazol-7-yl)-1-[4-(5-ethynyl-2-pyridinyl)piperazin-1-yl]butan-1-one;3-[cyclobutyl([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)amino]-1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one;1-[8-(5-ethenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(6-methylpyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]methoxy]propan-1-one;1-[8-(5-phenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one?
The InChIKey is SNNSSTPDMYVQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O.C26H33N7O.C24H26F3N5O2.C23H26N6O2.C22H22N4O2.C21H25N7O2/c35-27(13-14-28-16-22-7-4-8-26-30-19-31-34(22)26)32-17-23-10-11-24(18-32)33(23)25-12-9-21(15-29-25)20-5-2-1-3-6-20;1-19-8-11-24(27-14-19)32-21-9-10-22(32)16-31(15-21)26(34)12-13-30(20-4-2-5-20)17-23-6-3-7-25-28-18-29-33(23)25;1-16-5-8-22(28-11-16)31-17-6-7-18(31)14-30(13-17)23(33)9-10-34-15-19-3-2-4-21-29-12-20(32(19)21)24(25,26)27;1-2-17-5-8-21(24-12-17)29-19-6-7-20(29)14-27(13-19)22(30)9-11-31-15-18-4-3-10-28-23(18)25-16-26-28;1-2-17-9-10-20(23-15-17)25-11-13-26(14-12-25)21(27)8-4-6-18-5-3-7-19-22(18)28-16-24-19;1-15-4-7-19(25-24-15)28-17-5-6-18(28)12-26(11-17)20(29)8-10-30-13-16-3-2-9-27-21(16)22-14-23-27/h1-9,12,15,19,23-24,28H,10-11,13-14,16-18H2;3,6-8,11,14,18,20-22H,2,4-5,9-10,12-13,15-17H2,1H3;2-5,8,11-12,17-18H,6-7,9-10,13-15H2,1H3;2-5,8,10,12,16,19-20H,1,6-7,9,11,13-15H2;1,3,5,7,9-10,15-16H,4,6,8,11-14H2;2-4,7,9,14,17-18H,5-6,8,10-13H2,1H3.
What are the key properties of 4-(1,3-benzoxazol-7-yl)-1-[4-(5-ethynyl-2-pyridinyl)piperazin-1-yl]butan-1-one;3-[cyclobutyl([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)amino]-1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one;1-[8-(5-ethenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(6-methylpyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]methoxy]propan-1-one;1-[8-(5-phenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one?
4-(1,3-benzoxazol-7-yl)-1-[4-(5-ethynyl-2-pyridinyl)piperazin-1-yl]butan-1-one;3-[cyclobutyl([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)amino]-1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one;1-[8-(5-ethenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(6-methylpyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]methoxy]propan-1-one;1-[8-(5-phenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one has a molecular weight of 2601.10 g/mol, XLogP of 17.09, 38 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-7-yl)-1-[4-(5-ethynyl-2-pyridinyl)piperazin-1-yl]butan-1-one;3-[cyclobutyl([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)amino]-1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one;1-[8-(5-ethenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(6-methylpyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one;1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]methoxy]propan-1-one;1-[8-(5-phenyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one is sourced from PubChem (CID 167665223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).