1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-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;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-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone

C113H130Cl2F4N22O11 — CID 162088191

IUPAC1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-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;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-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-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(-c5ccccc5)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
InChIInChI=1S/C27H30N4O2.C23H30N4O2.C22H24ClF3N4O2.C21H24ClFN4O2.C20H22N6O3/c1-21(32)25-10-14-31(28-25)26(33)30-16-12-27(13-17-30)11-15-29(20-27)19-22-6-5-9-24(18-22)23-7-3-2-4-8-23;1-17-5-4-6-20(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;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/h2-10,14,18H,11-13,15-17,19-20H2,1H3;4-7,11H,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;3-6,11,13H,7-10,12H2,1-2H3
InChIKeyZDGCTYOYWIXLRE-UHFFFAOYSA-N
MW2119.32 g/mol
LogP19.15
Rot. Bonds17

About 1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-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;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-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-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-[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;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-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 162088191) has the molecular formula C113H130Cl2F4N22O11 and a molecular weight of 2119.32 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-[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;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-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-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-[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;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-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
PubChem CID162088191
Molecular FormulaC113H130Cl2F4N22O11
Molecular Weight2119.32 g/mol
Exact Mass2116.96
IUPAC Name1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-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;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-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-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(-c5ccccc5)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
InChIInChI=1S/C27H30N4O2.C23H30N4O2.C22H24ClF3N4O2.C21H24ClFN4O2.C20H22N6O3/c1-21(32)25-10-14-31(28-25)26(33)30-16-12-27(13-17-30)11-15-29(20-27)19-22-6-5-9-24(18-22)23-7-3-2-4-8-23;1-17-5-4-6-20(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;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/h2-10,14,18H,11-13,15-17,19-20H2,1H3;4-7,11H,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;3-6,11,13H,7-10,12H2,1-2H3
InChIKeyZDGCTYOYWIXLRE-UHFFFAOYSA-N
XLogP19.15
TPSA331.12 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds17
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002119.32
LogP ≤ 519.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-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;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-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone with MolForge

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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-[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;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-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-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-[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;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-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone (CID 162088191) is 1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-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;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-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-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-[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;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-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-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-[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;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-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-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(-c5ccccc5)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.
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-[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;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-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is ZDGCTYOYWIXLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2.C23H30N4O2.C22H24ClF3N4O2.C21H24ClFN4O2.C20H22N6O3/c1-21(32)25-10-14-31(28-25)26(33)30-16-12-27(13-17-30)11-15-29(20-27)19-22-6-5-9-24(18-22)23-7-3-2-4-8-23;1-17-5-4-6-20(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;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/h2-10,14,18H,11-13,15-17,19-20H2,1H3;4-7,11H,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;3-6,11,13H,7-10,12H2,1-2H3.
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-[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;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-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-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-[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;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-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2119.32 g/mol, XLogP of 19.15, 17 rotatable bonds, 0 hydrogen bond donors, and 28 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-[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;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-phenylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 162088191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).