[7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;N-methyl-N-[1-[7-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide

C123H154ClF5N26O8 — CID 162120598

IUPAC[7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;N-methyl-N-[1-[7-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4cc(C(F)(F)F)ccc4N4CCCC4)C3)C2)c1.Cc1ccc(CN2CCC3(CCN(C(=O)n4cc(C)cn4)C3)C2)cc1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(CO)cc4)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(F)cc4)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4cccc(Cl)c4)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4cccc(F)c4)C3)C2)c1
InChIInChI=1S/C26H33F3N6O2.C20H26N4O2.C20H26N4O.C19H23ClN4O.2C19H23FN4O/c1-19(36)31(2)22-14-30-35(16-22)24(37)34-12-8-25(18-34)7-11-32(17-25)15-20-13-21(26(27,28)29)5-6-23(20)33-9-3-4-10-33;1-16-10-21-24(11-16)19(26)23-9-7-20(15-23)6-8-22(14-20)12-17-2-4-18(13-25)5-3-17;1-16-3-5-18(6-4-16)13-22-9-7-20(14-22)8-10-23(15-20)19(25)24-12-17(2)11-21-24;1-15-10-21-24(11-15)18(25)23-8-6-19(14-23)5-7-22(13-19)12-16-3-2-4-17(20)9-16;1-15-10-21-24(11-15)18(25)23-9-7-19(14-23)6-8-22(13-19)12-16-2-4-17(20)5-3-16;1-15-10-21-24(11-15)18(25)23-8-6-19(14-23)5-7-22(13-19)12-16-3-2-4-17(20)9-16/h5-6,13-14,16H,3-4,7-12,15,17-18H2,1-2H3;2-5,10-11,25H,6-9,12-15H2,1H3;3-6,11-12H,7-10,13-15H2,1-2H3;2-4,9-11H,5-8,12-14H2,1H3;2-5,10-11H,6-9,12-14H2,1H3;2-4,9-11H,5-8,12-14H2,1H3
InChIKeyZHIWHBPVKHONEG-UHFFFAOYSA-N
MW2255.20 g/mol
LogP18.57
Rot. Bonds15

About [7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;N-methyl-N-[1-[7-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide

[7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;N-methyl-N-[1-[7-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide (PubChem CID 162120598) has the molecular formula C123H154ClF5N26O8 and a molecular weight of 2255.20 g/mol. Its IUPAC name is [7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;N-methyl-N-[1-[7-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name[7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;N-methyl-N-[1-[7-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide
PubChem CID162120598
Molecular FormulaC123H154ClF5N26O8
Molecular Weight2255.20 g/mol
Exact Mass2253.21
IUPAC Name[7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;N-methyl-N-[1-[7-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4cc(C(F)(F)F)ccc4N4CCCC4)C3)C2)c1.Cc1ccc(CN2CCC3(CCN(C(=O)n4cc(C)cn4)C3)C2)cc1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(CO)cc4)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(F)cc4)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4cccc(Cl)c4)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4cccc(F)c4)C3)C2)c1
InChIInChI=1S/C26H33F3N6O2.C20H26N4O2.C20H26N4O.C19H23ClN4O.2C19H23FN4O/c1-19(36)31(2)22-14-30-35(16-22)24(37)34-12-8-25(18-34)7-11-32(17-25)15-20-13-21(26(27,28)29)5-6-23(20)33-9-3-4-10-33;1-16-10-21-24(11-16)19(26)23-9-7-20(15-23)6-8-22(14-20)12-17-2-4-18(13-25)5-3-17;1-16-3-5-18(6-4-16)13-22-9-7-20(14-22)8-10-23(15-20)19(25)24-12-17(2)11-21-24;1-15-10-21-24(11-15)18(25)23-8-6-19(14-23)5-7-22(13-19)12-16-3-2-4-17(20)9-16;1-15-10-21-24(11-15)18(25)23-9-7-19(14-23)6-8-22(13-19)12-16-2-4-17(20)5-3-16;1-15-10-21-24(11-15)18(25)23-8-6-19(14-23)5-7-22(13-19)12-16-3-2-4-17(20)9-16/h5-6,13-14,16H,3-4,7-12,15,17-18H2,1-2H3;2-5,10-11,25H,6-9,12-15H2,1H3;3-6,11-12H,7-10,13-15H2,1-2H3;2-4,9-11H,5-8,12-14H2,1H3;2-5,10-11H,6-9,12-14H2,1H3;2-4,9-11H,5-8,12-14H2,1H3
InChIKeyZHIWHBPVKHONEG-UHFFFAOYSA-N
XLogP18.57
TPSA292.00 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds15
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002255.20
LogP ≤ 518.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Analyze [7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;N-methyl-N-[1-[7-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide with MolForge

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Related Compounds

[7-[(2-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;bis([7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone);[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(3-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 159533540
(4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 145316137
N-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide
CID 135375590
[7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 139417629
N-[1-[2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(3,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
CID 145315961
N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane
CID 162227578
[7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone
CID 162258117
N-methyl-N-[1-[4-[(4-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide
CID 135375904
[2-[(3-chloro-5-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(3-chloro-5-methylphenyl)methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 162183213
N-methyl-N-[1-[2-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
CID 135375571
N-methyl-N-[1-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
CID 135375972
1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide
CID 139417522

Frequently Asked Questions

What is the IUPAC name of [7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;N-methyl-N-[1-[7-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?
The IUPAC name of [7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;N-methyl-N-[1-[7-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide (CID 162120598) is [7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;N-methyl-N-[1-[7-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for [7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;N-methyl-N-[1-[7-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?
The canonical SMILES for [7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;N-methyl-N-[1-[7-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide is CC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4cc(C(F)(F)F)ccc4N4CCCC4)C3)C2)c1.Cc1ccc(CN2CCC3(CCN(C(=O)n4cc(C)cn4)C3)C2)cc1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(CO)cc4)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(F)cc4)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4cccc(Cl)c4)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4cccc(F)c4)C3)C2)c1.
What is the InChIKey of [7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;N-methyl-N-[1-[7-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?
The InChIKey is ZHIWHBPVKHONEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N6O2.C20H26N4O2.C20H26N4O.C19H23ClN4O.2C19H23FN4O/c1-19(36)31(2)22-14-30-35(16-22)24(37)34-12-8-25(18-34)7-11-32(17-25)15-20-13-21(26(27,28)29)5-6-23(20)33-9-3-4-10-33;1-16-10-21-24(11-16)19(26)23-9-7-20(15-23)6-8-22(14-20)12-17-2-4-18(13-25)5-3-17;1-16-3-5-18(6-4-16)13-22-9-7-20(14-22)8-10-23(15-20)19(25)24-12-17(2)11-21-24;1-15-10-21-24(11-15)18(25)23-8-6-19(14-23)5-7-22(13-19)12-16-3-2-4-17(20)9-16;1-15-10-21-24(11-15)18(25)23-9-7-19(14-23)6-8-22(13-19)12-16-2-4-17(20)5-3-16;1-15-10-21-24(11-15)18(25)23-8-6-19(14-23)5-7-22(13-19)12-16-3-2-4-17(20)9-16/h5-6,13-14,16H,3-4,7-12,15,17-18H2,1-2H3;2-5,10-11,25H,6-9,12-15H2,1H3;3-6,11-12H,7-10,13-15H2,1-2H3;2-4,9-11H,5-8,12-14H2,1H3;2-5,10-11H,6-9,12-14H2,1H3;2-4,9-11H,5-8,12-14H2,1H3.
What are the key properties of [7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;N-methyl-N-[1-[7-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?
[7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;N-methyl-N-[1-[7-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide has a molecular weight of 2255.20 g/mol, XLogP of 18.57, 15 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;N-methyl-N-[1-[7-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 162120598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).