1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;tris(1-[1-[4-[[4-methyl-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone)

C145H163Cl3F4N36O18 — CID 163420271

IUPAC1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;tris(1-[1-[4-[[4-methyl-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone)
SMILESCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(C(F)(F)F)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(F)cc(Cl)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(C)c4C)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3-c3nnco3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3-c3nnco3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3-c3nnco3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3-c3nnco3)CC2)n1
InChIInChI=1S/C23H30N4O2.C22H24ClF3N4O2.C21H24ClFN4O2.3C20H22N6O3.C19H19ClN6O3/c1-17-5-4-6-20(18(17)2)15-25-12-8-23(16-25)9-13-26(14-10-23)22(29)27-11-7-21(24-27)19(3)28;1-15(31)19-2-6-30(27-19)20(32)29-8-4-21(5-9-29)3-7-28(14-21)13-16-10-17(22(24,25)26)12-18(23)11-16;1-15(28)19-2-6-27(24-19)20(29)26-8-4-21(5-9-26)3-7-25(14-21)13-16-10-17(22)12-18(23)11-16;3*1-14-3-4-16(17(11-14)19-22-21-13-29-19)12-24-7-9-25(10-8-24)20(28)26-6-5-18(23-26)15(2)27;1-13(27)17-4-5-26(23-17)19(28)25-8-6-24(7-9-25)11-14-2-3-15(20)10-16(14)18-22-21-12-29-18/h4-7,11H,8-10,12-16H2,1-3H3;2,6,10-12H,3-5,7-9,13-14H2,1H3;2,6,10-12H,3-5,7-9,13-14H2,1H3;3*3-6,11,13H,7-10,12H2,1-2H3;2-5,10,12H,6-9,11H2,1H3
InChIKeyAHWIEAYBACDTGI-UHFFFAOYSA-N
MW2880.48 g/mol
LogP21.47
Rot. Bonds25

About 1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;tris(1-[1-[4-[[4-methyl-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone)

1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;tris(1-[1-[4-[[4-methyl-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone) (PubChem CID 163420271) has the molecular formula C145H163Cl3F4N36O18 and a molecular weight of 2880.48 g/mol. Its IUPAC name is 1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;tris(1-[1-[4-[[4-methyl-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone).

Molecular Properties

Compound Name1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;tris(1-[1-[4-[[4-methyl-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone)
PubChem CID163420271
Molecular FormulaC145H163Cl3F4N36O18
Molecular Weight2880.48 g/mol
Exact Mass2877.19
IUPAC Name1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;tris(1-[1-[4-[[4-methyl-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone)
SMILESCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(C(F)(F)F)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(F)cc(Cl)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(C)c4C)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3-c3nnco3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3-c3nnco3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3-c3nnco3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3-c3nnco3)CC2)n1
InChIInChI=1S/C23H30N4O2.C22H24ClF3N4O2.C21H24ClFN4O2.3C20H22N6O3.C19H19ClN6O3/c1-17-5-4-6-20(18(17)2)15-25-12-8-23(16-25)9-13-26(14-10-23)22(29)27-11-7-21(24-27)19(3)28;1-15(31)19-2-6-30(27-19)20(32)29-8-4-21(5-9-29)3-7-28(14-21)13-16-10-17(22(24,25)26)12-18(23)11-16;1-15(28)19-2-6-27(24-19)20(29)26-8-4-21(5-9-26)3-7-25(14-21)13-16-10-17(22)12-18(23)11-16;3*1-14-3-4-16(17(11-14)19-22-21-13-29-19)12-24-7-9-25(10-8-24)20(28)26-6-5-18(23-26)15(2)27;1-13(27)17-4-5-26(23-17)19(28)25-8-6-24(7-9-25)11-14-2-3-15(20)10-16(14)18-22-21-12-29-18/h4-7,11H,8-10,12-16H2,1-3H3;2,6,10-12H,3-5,7-9,13-14H2,1H3;2,6,10-12H,3-5,7-9,13-14H2,1H3;3*3-6,11,13H,7-10,12H2,1-2H3;2-5,10,12H,6-9,11H2,1H3
InChIKeyAHWIEAYBACDTGI-UHFFFAOYSA-N
XLogP21.47
TPSA564.76 Ų
H-Bond Donors
H-Bond Acceptors47
Rotatable Bonds25
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002880.48
LogP ≤ 521.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1047

Analyze 1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;tris(1-[1-[4-[[4-methyl-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;tris(1-[1-[4-[[4-methyl-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone)?
The IUPAC name of 1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;tris(1-[1-[4-[[4-methyl-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone) (CID 163420271) is 1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;tris(1-[1-[4-[[4-methyl-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone).
What is the SMILES notation for 1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;tris(1-[1-[4-[[4-methyl-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone)?
The canonical SMILES for 1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;tris(1-[1-[4-[[4-methyl-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone) is CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(C(F)(F)F)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(F)cc(Cl)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(C)c4C)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3-c3nnco3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3-c3nnco3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3-c3nnco3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3-c3nnco3)CC2)n1.
What is the InChIKey of 1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;tris(1-[1-[4-[[4-methyl-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone)?
The InChIKey is AHWIEAYBACDTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2.C22H24ClF3N4O2.C21H24ClFN4O2.3C20H22N6O3.C19H19ClN6O3/c1-17-5-4-6-20(18(17)2)15-25-12-8-23(16-25)9-13-26(14-10-23)22(29)27-11-7-21(24-27)19(3)28;1-15(31)19-2-6-30(27-19)20(32)29-8-4-21(5-9-29)3-7-28(14-21)13-16-10-17(22(24,25)26)12-18(23)11-16;1-15(28)19-2-6-27(24-19)20(29)26-8-4-21(5-9-26)3-7-25(14-21)13-16-10-17(22)12-18(23)11-16;3*1-14-3-4-16(17(11-14)19-22-21-13-29-19)12-24-7-9-25(10-8-24)20(28)26-6-5-18(23-26)15(2)27;1-13(27)17-4-5-26(23-17)19(28)25-8-6-24(7-9-25)11-14-2-3-15(20)10-16(14)18-22-21-12-29-18/h4-7,11H,8-10,12-16H2,1-3H3;2,6,10-12H,3-5,7-9,13-14H2,1H3;2,6,10-12H,3-5,7-9,13-14H2,1H3;3*3-6,11,13H,7-10,12H2,1-2H3;2-5,10,12H,6-9,11H2,1H3.
What are the key properties of 1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;tris(1-[1-[4-[[4-methyl-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone)?
1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;tris(1-[1-[4-[[4-methyl-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone) has a molecular weight of 2880.48 g/mol, XLogP of 21.47, 25 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;tris(1-[1-[4-[[4-methyl-2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone) is sourced from PubChem (CID 163420271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).