1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazole-3-carboxylic acid;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone

C145H165ClN28O15S — CID 163417993

IUPAC1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazole-3-carboxylic acid;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(C)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4C(N)=O)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(-c5ccccn5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(-c5cncnc5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(-c5nccs5)c4)C3)CC2)n1.Cc1cn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5ccccc5)c4)C[C@H]3C2)nc1C(=O)O
InChIInChI=1S/C26H29N5O2.C25H28N6O2.C25H25N3O4.C24H27N5O2S.C23H30N4O2.C22H26ClN5O3/c1-20(32)23-8-13-31(28-23)25(33)30-15-10-26(11-16-30)9-14-29(19-26)18-21-5-4-6-22(17-21)24-7-2-3-12-27-24;1-19(32)23-5-9-31(28-23)24(33)30-11-7-25(8-12-30)6-10-29(17-25)16-20-3-2-4-21(13-20)22-14-26-18-27-15-22;1-16-13-28(26-23(16)24(29)30)25(31)27-14-19-11-22(12-20(19)15-27)32-21-9-5-8-18(10-21)17-6-3-2-4-7-17;1-18(30)21-5-10-29(26-21)23(31)28-12-7-24(8-13-28)6-11-27(17-24)16-19-3-2-4-20(15-19)22-25-9-14-32-22;1-17-13-18(2)15-20(14-17)16-26-9-4-6-23(26)7-11-25(12-8-23)22(29)27-10-5-21(24-27)19(3)28;1-15(29)19-4-8-28(25-19)21(31)27-10-6-22(7-11-27)5-9-26(14-22)13-16-12-17(23)2-3-18(16)20(24)30/h2-8,12-13,17H,9-11,14-16,18-19H2,1H3;2-5,9,13-15,18H,6-8,10-12,16-17H2,1H3;2-10,13,19-20,22H,11-12,14-15H2,1H3,(H,29,30);2-5,9-10,14-15H,6-8,11-13,16-17H2,1H3;5,10,13-15H,4,6-9,11-12,16H2,1-3H3;2-4,8,12H,5-7,9-11,13-14H2,1H3,(H2,24,30)/t;;19-,20+,22?;;;
InChIKeyAGBJPLOLNXFLJW-OMDDKCEVSA-N
MW2607.62 g/mol
LogP22.68
Rot. Bonds23

About 1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazole-3-carboxylic acid;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone

1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazole-3-carboxylic acid;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163417993) has the molecular formula C145H165ClN28O15S and a molecular weight of 2607.62 g/mol. Its IUPAC name is 1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazole-3-carboxylic acid;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazole-3-carboxylic acid;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
PubChem CID163417993
Molecular FormulaC145H165ClN28O15S
Molecular Weight2607.62 g/mol
Exact Mass2605.24
IUPAC Name1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazole-3-carboxylic acid;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(C)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4C(N)=O)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(-c5ccccn5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(-c5cncnc5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(-c5nccs5)c4)C3)CC2)n1.Cc1cn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5ccccc5)c4)C[C@H]3C2)nc1C(=O)O
InChIInChI=1S/C26H29N5O2.C25H28N6O2.C25H25N3O4.C24H27N5O2S.C23H30N4O2.C22H26ClN5O3/c1-20(32)23-8-13-31(28-23)25(33)30-15-10-26(11-16-30)9-14-29(19-26)18-21-5-4-6-22(17-21)24-7-2-3-12-27-24;1-19(32)23-5-9-31(28-23)24(33)30-11-7-25(8-12-30)6-10-29(17-25)16-20-3-2-4-21(13-20)22-14-26-18-27-15-22;1-16-13-28(26-23(16)24(29)30)25(31)27-14-19-11-22(12-20(19)15-27)32-21-9-5-8-18(10-21)17-6-3-2-4-7-17;1-18(30)21-5-10-29(26-21)23(31)28-12-7-24(8-13-28)6-11-27(17-24)16-19-3-2-4-20(15-19)22-25-9-14-32-22;1-17-13-18(2)15-20(14-17)16-26-9-4-6-23(26)7-11-25(12-8-23)22(29)27-10-5-21(24-27)19(3)28;1-15(29)19-4-8-28(25-19)21(31)27-10-6-22(7-11-27)5-9-26(14-22)13-16-12-17(23)2-3-18(16)20(24)30/h2-8,12-13,17H,9-11,14-16,18-19H2,1H3;2-5,9,13-15,18H,6-8,10-12,16-17H2,1H3;2-10,13,19-20,22H,11-12,14-15H2,1H3,(H,29,30);2-5,9-10,14-15H,6-8,11-13,16-17H2,1H3;5,10,13-15H,4,6-9,11-12,16H2,1-3H3;2-4,8,12H,5-7,9-11,13-14H2,1H3,(H2,24,30)/t;;19-,20+,22?;;;
InChIKeyAGBJPLOLNXFLJW-OMDDKCEVSA-N
XLogP22.68
TPSA471.51 Ų
H-Bond Donors2
H-Bond Acceptors36
Rotatable Bonds23
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002607.62
LogP ≤ 522.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1036

Analyze 1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazole-3-carboxylic acid;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone with MolForge

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Related Compounds

1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazole-3-carboxylic acid;1-[1-[(3aS,6aR)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(3-phenylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(4-fluoro-3-phenoxyphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 163476395
1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[5-chloro-2-(trifluoromethyl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[methyl-[(3-phenylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[(2S)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[(4-fluoro-3-phenoxyphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 163770589
1-[1-[(3aS,6aR)-5-[5-chloro-2-(trifluoromethyl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[methyl-[(3-phenylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[(2R)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
CID 163983568
1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-(4-methyl-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
CID 163466040

Frequently Asked Questions

What is the IUPAC name of 1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazole-3-carboxylic acid;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazole-3-carboxylic acid;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone (CID 163417993) is 1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazole-3-carboxylic acid;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazole-3-carboxylic acid;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazole-3-carboxylic acid;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(C)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4C(N)=O)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(-c5ccccn5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(-c5cncnc5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(-c5nccs5)c4)C3)CC2)n1.Cc1cn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5ccccc5)c4)C[C@H]3C2)nc1C(=O)O.
What is the InChIKey of 1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazole-3-carboxylic acid;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is AGBJPLOLNXFLJW-OMDDKCEVSA-N. The full InChI is InChI=1S/C26H29N5O2.C25H28N6O2.C25H25N3O4.C24H27N5O2S.C23H30N4O2.C22H26ClN5O3/c1-20(32)23-8-13-31(28-23)25(33)30-15-10-26(11-16-30)9-14-29(19-26)18-21-5-4-6-22(17-21)24-7-2-3-12-27-24;1-19(32)23-5-9-31(28-23)24(33)30-11-7-25(8-12-30)6-10-29(17-25)16-20-3-2-4-21(13-20)22-14-26-18-27-15-22;1-16-13-28(26-23(16)24(29)30)25(31)27-14-19-11-22(12-20(19)15-27)32-21-9-5-8-18(10-21)17-6-3-2-4-7-17;1-18(30)21-5-10-29(26-21)23(31)28-12-7-24(8-13-28)6-11-27(17-24)16-19-3-2-4-20(15-19)22-25-9-14-32-22;1-17-13-18(2)15-20(14-17)16-26-9-4-6-23(26)7-11-25(12-8-23)22(29)27-10-5-21(24-27)19(3)28;1-15(29)19-4-8-28(25-19)21(31)27-10-6-22(7-11-27)5-9-26(14-22)13-16-12-17(23)2-3-18(16)20(24)30/h2-8,12-13,17H,9-11,14-16,18-19H2,1H3;2-5,9,13-15,18H,6-8,10-12,16-17H2,1H3;2-10,13,19-20,22H,11-12,14-15H2,1H3,(H,29,30);2-5,9-10,14-15H,6-8,11-13,16-17H2,1H3;5,10,13-15H,4,6-9,11-12,16H2,1-3H3;2-4,8,12H,5-7,9-11,13-14H2,1H3,(H2,24,30)/t;;19-,20+,22?;;;.
What are the key properties of 1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazole-3-carboxylic acid;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?
1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazole-3-carboxylic acid;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2607.62 g/mol, XLogP of 22.68, 23 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazole-3-carboxylic acid;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163417993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).