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

C134H140F3N31O18S — CID 158723450

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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]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(Oc4cc(C(F)(F)F)ccn4)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(Oc4cnccn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ncccn4)c3)CC2)n1
InChIInChI=1S/C24H26N4O3S.C23H22F3N5O3.C23H25N5O3.C22H23N5O3.2C21H22N6O3/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;1-16(32)20-6-8-31(28-20)22(33)30-11-9-29(10-12-30)15-17-3-2-4-19(13-17)34-21-14-18(5-7-27-21)23(24,25)26;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/h3-5,9,13-14H,6-8,10-12,15H2,1-2H3;2-8,13-14H,9-12,15H2,1H3;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
InChIKeyIKEXLDGMLFNBFA-UHFFFAOYSA-N
MW2561.85 g/mol
LogP19.62
Rot. Bonds27

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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 158723450) has the molecular formula C134H140F3N31O18S and a molecular weight of 2561.85 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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
PubChem CID158723450
Molecular FormulaC134H140F3N31O18S
Molecular Weight2561.85 g/mol
Exact Mass2560.07
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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]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(Oc4cc(C(F)(F)F)ccn4)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(Oc4cnccn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ncccn4)c3)CC2)n1
InChIInChI=1S/C24H26N4O3S.C23H22F3N5O3.C23H25N5O3.C22H23N5O3.2C21H22N6O3/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;1-16(32)20-6-8-31(28-20)22(33)30-11-9-29(10-12-30)15-17-3-2-4-19(13-17)34-21-14-18(5-7-27-21)23(24,25)26;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/h3-5,9,13-14H,6-8,10-12,15H2,1-2H3;2-8,13-14H,9-12,15H2,1H3;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
InChIKeyIKEXLDGMLFNBFA-UHFFFAOYSA-N
XLogP19.62
TPSA504.09 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds27
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002561.85
LogP ≤ 519.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone with MolForge

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Related Compounds

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
1,3-Difluoro-2,5-dimethylbenzene;2,5-dimethylfuran;bis(1,4-dimethylimidazole);2,5-dimethyl-1,3,4-oxadiazole;bis(2,5-dimethyl-1,3-oxazole);2,5-dimethylpyrazine;bis(1,4-dimethylpyrazole);3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);bis(1,3-dimethylpyrrole);2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthiophene;2-fluoro-1,4-dimethylbenzene;bis(1,2,5-trimethylimidazole);1,2,5-trimethylpyrrole;3,4,5-trimethyl-1,2,4-triazole;1,4-xylene
CID 158773929
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
1,3-Difluoro-2,5-dimethylbenzene;2,5-dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;bis(2,5-dimethyl-1,3-oxazole);2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthiophene;2-fluoro-1,4-dimethylbenzene;1,2,5-trimethylpyrrole;1,4-xylene
CID 160131671
(3R)-3-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-morpholin-4-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-thiophen-2-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione
CID 161221809
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
CID 165051401
CID 165051401

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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (CID 158723450) 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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]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(Oc4cc(C(F)(F)F)ccn4)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(Oc4cnccn4)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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is IKEXLDGMLFNBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S.C23H22F3N5O3.C23H25N5O3.C22H23N5O3.2C21H22N6O3/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;1-16(32)20-6-8-31(28-20)22(33)30-11-9-29(10-12-30)15-17-3-2-4-19(13-17)34-21-14-18(5-7-27-21)23(24,25)26;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/h3-5,9,13-14H,6-8,10-12,15H2,1-2H3;2-8,13-14H,9-12,15H2,1H3;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.
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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2561.85 g/mol, XLogP of 19.62, 27 rotatable bonds, 0 hydrogen bond donors, and 43 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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 158723450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).