1-[1-[2-(6-methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-5-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

C174H184N44O23S — CID 163618839

IUPAC1-[1-[2-(6-methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-5-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC3(CCN(C(=O)c4cc5ccc(C)cc5s4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(-c4ncccn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(C)cn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccncc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccncn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cnccn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cncnc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ncccn4)c3)CC2)n1
InChIInChI=1S/C24H26N4O3S.C23H25N5O3.C22H23N5O3.4C21H22N6O3.C21H22N6O2/c1-16-3-4-18-14-21(32-20(18)13-16)22(30)27-12-8-24(15-27)6-10-26(11-7-24)23(31)28-9-5-19(25-28)17(2)29;1-17-6-7-22(24-15-17)31-20-5-3-4-19(14-20)16-26-10-12-27(13-11-26)23(30)28-9-8-21(25-28)18(2)29;1-17(28)21-7-10-27(24-21)22(29)26-13-11-25(12-14-26)16-18-3-2-4-20(15-18)30-19-5-8-23-9-6-19;1-16(28)19-6-9-27(24-19)21(29)26-12-10-25(11-13-26)15-17-4-2-5-18(14-17)30-20-22-7-3-8-23-20;1-16(28)19-5-8-27(24-19)21(29)26-11-9-25(10-12-26)15-17-3-2-4-18(13-17)30-20-14-22-6-7-23-20;1-16(28)19-6-8-27(24-19)21(29)26-11-9-25(10-12-26)14-17-3-2-4-18(13-17)30-20-5-7-22-15-23-20;1-16(28)20-5-6-27(24-20)21(29)26-9-7-25(8-10-26)14-17-3-2-4-18(11-17)30-19-12-22-15-23-13-19;1-16(28)19-6-9-27(24-19)21(29)26-12-10-25(11-13-26)15-17-4-2-5-18(14-17)20-22-7-3-8-23-20/h3-5,9,13-14H,6-8,10-12,15H2,1-2H3;3-9,14-15H,10-13,16H2,1-2H3;2-10,15H,11-14,16H2,1H3;2-9,14H,10-13,15H2,1H3;2-8,13-14H,9-12,15H2,1H3;2-8,13,15H,9-12,14H2,1H3;2-6,11-13,15H,7-10,14H2,1H3;2-9,14H,10-13,15H2,1H3
InChIKeyHMIQKGVYRPHNOY-UHFFFAOYSA-N
MW3291.74 g/mol
LogP22.78
Rot. Bonds36

About 1-[1-[2-(6-methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-5-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

1-[1-[2-(6-methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-5-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163618839) has the molecular formula C174H184N44O23S and a molecular weight of 3291.74 g/mol. Its IUPAC name is 1-[1-[2-(6-methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-5-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(6-methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-5-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
PubChem CID163618839
Molecular FormulaC174H184N44O23S
Molecular Weight3291.74 g/mol
Exact Mass3289.43
IUPAC Name1-[1-[2-(6-methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-5-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC3(CCN(C(=O)c4cc5ccc(C)cc5s4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(-c4ncccn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(C)cn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccncc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccncn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cnccn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cncnc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ncccn4)c3)CC2)n1
InChIInChI=1S/C24H26N4O3S.C23H25N5O3.C22H23N5O3.4C21H22N6O3.C21H22N6O2/c1-16-3-4-18-14-21(32-20(18)13-16)22(30)27-12-8-24(15-27)6-10-26(11-7-24)23(31)28-9-5-19(25-28)17(2)29;1-17-6-7-22(24-15-17)31-20-5-3-4-19(14-20)16-26-10-12-27(13-11-26)23(30)28-9-8-21(25-28)18(2)29;1-17(28)21-7-10-27(24-21)22(29)26-13-11-25(12-14-26)16-18-3-2-4-20(15-18)30-19-5-8-23-9-6-19;1-16(28)19-6-9-27(24-19)21(29)26-12-10-25(11-13-26)15-17-4-2-5-18(14-17)30-20-22-7-3-8-23-20;1-16(28)19-5-8-27(24-19)21(29)26-11-9-25(10-12-26)15-17-3-2-4-18(13-17)30-20-14-22-6-7-23-20;1-16(28)19-6-8-27(24-19)21(29)26-11-9-25(10-12-26)14-17-3-2-4-18(13-17)30-20-5-7-22-15-23-20;1-16(28)20-5-6-27(24-20)21(29)26-9-7-25(8-10-26)14-17-3-2-4-18(11-17)30-19-12-22-15-23-13-19;1-16(28)19-6-9-27(24-19)21(29)26-12-10-25(11-13-26)15-17-4-2-5-18(14-17)20-22-7-3-8-23-20/h3-5,9,13-14H,6-8,10-12,15H2,1-2H3;3-9,14-15H,10-13,16H2,1-2H3;2-10,15H,11-14,16H2,1H3;2-9,14H,10-13,15H2,1H3;2-8,13-14H,9-12,15H2,1H3;2-8,13,15H,9-12,14H2,1H3;2-6,11-13,15H,7-10,14H2,1H3;2-9,14H,10-13,15H2,1H3
InChIKeyHMIQKGVYRPHNOY-UHFFFAOYSA-N
XLogP22.78
TPSA694.65 Ų
H-Bond Donors
H-Bond Acceptors59
Rotatable Bonds36
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003291.74
LogP ≤ 522.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1059

Analyze 1-[1-[2-(6-methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-5-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone with MolForge

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Related Compounds

1-[1-[2-(6-Methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 158723450
1-[1-[4-[[3-[(5-Methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 163569203
1-[1-[2-(6-Methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 164047970
2,5-Dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene
CID 157088584
benzenethiolate;carbazol-9-ide;chloropalladium(1+);di(propan-2-yl)azanide;2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;tris(palladium(2+));2-[4-(4-phenylphenyl)pyrazol-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole
CID 157445771
tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-tert-butyl-5,7-dihydrofuro[3,4-b]pyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylfuro[2,3-b]pyridine;1-tert-butylimidazole;5-tert-butyl-3H-indole;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthiophene;4-tert-butyl-1,2,4-triazole
CID 157718048
Carbanide;bis(4-propan-2-yl-1-benzothiophene);bis(5-propan-2-yl-1-benzothiophene);bis(6-propan-2-yl-1-benzothiophene);bis(7-propan-2-yl-1-benzothiophene);bis(4-propan-2-ylfuro[2,3-b]pyridine);5-propan-2-ylfuro[2,3-b]pyridine;5-propan-2-ylfuro[3,2-b]pyridine;6-propan-2-ylfuro[2,3-b]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;bis(7-propan-2-ylfuro[3,2-b]pyridine);4-propan-2-ylfuro[2,3-c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;7-propan-2-ylfuro[2,3-c]pyridine;7-propan-2-ylfuro[3,2-c]pyridine;bis(4-propan-2-ylfuro[2,3-d]pyrimidine);bis(4-propan-2-ylfuro[3,2-d]pyrimidine);7-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;(yttrium)
CID 157788631
6-[3-[3-[8-[3-[3-([1]Benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[6-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[4-(3-dibenzofuran-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-(3-dibenzofuran-3-ylphenyl)sulfanylphenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-[3-[3-[4-(3-dibenzothiophen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine
CID 157966193
4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)spiro[3-oxa-5,9,11,13-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine;4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8H-purino[9,8-a]pyrimidine-9,1'-cyclohexane]-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine
CID 158142001
9-[3-Carbazol-9-yl-5-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole;4-dibenzothiophen-4-yl-2-[6-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-2-pyridinyl]-6-phenylpyrimidine;2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;4-naphthalen-2-yl-2-[6-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-2-pyridinyl]-6-phenylpyrimidine;4-(10-phenylanthracen-9-yl)-2,6-dipyridin-2-ylpyridine
CID 158164354
1,4-Di(propan-2-yl)benzene;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene;1-methyl-2,4-di(propan-2-yl)imidazole;bis(1-methyl-2,5-di(propan-2-yl)imidazole);1-methyl-3,5-di(propan-2-yl)pyrazole
CID 159154910
2-(1-benzothiophen-3-ylmethyl)-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;2-benzyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(pyridin-3-ylmethyl)pyrrolo[3,2-d]pyrimidine;4-[4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]morpholine;[4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
CID 159413564

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(6-methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-5-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[2-(6-methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-5-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (CID 163618839) is 1-[1-[2-(6-methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-5-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(6-methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-5-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-(6-methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-5-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC3(CCN(C(=O)c4cc5ccc(C)cc5s4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(-c4ncccn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(C)cn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccncc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccncn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cnccn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cncnc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ncccn4)c3)CC2)n1.
What is the InChIKey of 1-[1-[2-(6-methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-5-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is HMIQKGVYRPHNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S.C23H25N5O3.C22H23N5O3.4C21H22N6O3.C21H22N6O2/c1-16-3-4-18-14-21(32-20(18)13-16)22(30)27-12-8-24(15-27)6-10-26(11-7-24)23(31)28-9-5-19(25-28)17(2)29;1-17-6-7-22(24-15-17)31-20-5-3-4-19(14-20)16-26-10-12-27(13-11-26)23(30)28-9-8-21(25-28)18(2)29;1-17(28)21-7-10-27(24-21)22(29)26-13-11-25(12-14-26)16-18-3-2-4-20(15-18)30-19-5-8-23-9-6-19;1-16(28)19-6-9-27(24-19)21(29)26-12-10-25(11-13-26)15-17-4-2-5-18(14-17)30-20-22-7-3-8-23-20;1-16(28)19-5-8-27(24-19)21(29)26-11-9-25(10-12-26)15-17-3-2-4-18(13-17)30-20-14-22-6-7-23-20;1-16(28)19-6-8-27(24-19)21(29)26-11-9-25(10-12-26)14-17-3-2-4-18(13-17)30-20-5-7-22-15-23-20;1-16(28)20-5-6-27(24-20)21(29)26-9-7-25(8-10-26)14-17-3-2-4-18(11-17)30-19-12-22-15-23-13-19;1-16(28)19-6-9-27(24-19)21(29)26-12-10-25(11-13-26)15-17-4-2-5-18(14-17)20-22-7-3-8-23-20/h3-5,9,13-14H,6-8,10-12,15H2,1-2H3;3-9,14-15H,10-13,16H2,1-2H3;2-10,15H,11-14,16H2,1H3;2-9,14H,10-13,15H2,1H3;2-8,13-14H,9-12,15H2,1H3;2-8,13,15H,9-12,14H2,1H3;2-6,11-13,15H,7-10,14H2,1H3;2-9,14H,10-13,15H2,1H3.
What are the key properties of 1-[1-[2-(6-methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-5-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[2-(6-methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-5-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 3291.74 g/mol, XLogP of 22.78, 36 rotatable bonds, 0 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(6-methyl-1-benzothiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrazin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-4-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-5-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyrimidin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163618839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).