1-[1-[(3aS,6aR)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;1-[4-chloro-1-[(2S)-2-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrazol-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrazin-2-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone

C126H152ClF3N24O15 — CID 162220284

About 1-[1-[(3aS,6aR)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;1-[4-chloro-1-[(2S)-2-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrazol-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrazin-2-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone

1-[1-[(3aS,6aR)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;1-[4-chloro-1-[(2S)-2-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrazol-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrazin-2-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 162220284) has the molecular formula C126H152ClF3N24O15 and a molecular weight of 2335.20 g/mol. Its IUPAC name is 1-[1-[(3aS,6aR)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;1-[4-chloro-1-[(2S)-2-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrazol-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrazin-2-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[(3aS,6aR)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;1-[4-chloro-1-[(2S)-2-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrazol-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrazin-2-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
• PubChem CID: 162220284
• Molecular Formula: C126H152ClF3N24O15
• Molecular Weight: 2335.20 g/mol
• Exact Mass: 2333.15
• IUPAC Name: 1-[1-[(3aS,6aR)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;1-[4-chloro-1-[(2S)-2-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrazol-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrazin-2-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
• SMILES: CC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(C5(C(=O)O)CCOCC5)cc4C(F)(F)F)CC3C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(-n4cccn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(Oc5cnccn5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4cccc(C5CCCC5)c4)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2CCC(N(C)Cc3ccc(C)cc3N3CCCC3)C[C@@H]2C)cc1Cl
• InChI: InChI=1S/C26H29F3N4O5.C25H34ClN5O2.C25H28N6O3.C25H30N6O2.C25H31N3O3/c1-16(34)22-4-7-33(30-22)24(37)32-14-18-12-31(13-19(18)15-32)11-17-2-3-20(10-21(17)26(27,28)29)25(23(35)36)5-8-38-9-6-25;1-17-7-8-20(23(13-17)29-10-5-6-11-29)15-28(4)21-9-12-30(18(2)14-21)25(33)31-16-22(26)24(27-31)19(3)32;1-19(32)22-5-11-31(28-22)24(33)30-13-7-25(8-14-30)6-12-29(18-25)17-20-3-2-4-21(15-20)34-23-16-26-9-10-27-23;1-19-15-21(17-22(16-19)30-11-4-9-26-30)18-29-10-3-6-25(29)7-13-28(14-8-25)24(33)31-12-5-23(27-31)20(2)32;1-17(29)24-9-10-28(26-24)25(30)27-14-21-12-23(13-22(21)15-27)31-16-18-5-4-8-20(11-18)19-6-2-3-7-19/h2-4,7,10,18-19H,5-6,8-9,11-15H2,1H3,(H,35,36);7-8,13,16,18,21H,5-6,9-12,14-15H2,1-4H3;2-5,9-11,15-16H,6-8,12-14,17-18H2,1H3;4-5,9,11-12,15-17H,3,6-8,10,13-14,18H2,1-2H3;4-5,8-11,19,21-23H,2-3,6-7,12-16H2,1H3/t;18-,21?;;;21-,22+,23?/m.0.../s1
• InChIKey: ZUAIRYKAILHRQD-GXSOQPFLSA-N
• XLogP: 19.81
• TPSA: 400.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 24
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2335.20
LogP ≤ 5	19.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3aS,6aR)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;1-[4-chloro-1-[(2S)-2-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrazol-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrazin-2-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?

The IUPAC name of 1-[1-[(3aS,6aR)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;1-[4-chloro-1-[(2S)-2-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrazol-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrazin-2-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone (CID 162220284) is 1-[1-[(3aS,6aR)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;1-[4-chloro-1-[(2S)-2-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrazol-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrazin-2-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone.

What is the SMILES notation for 1-[1-[(3aS,6aR)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;1-[4-chloro-1-[(2S)-2-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrazol-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrazin-2-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?

The canonical SMILES for 1-[1-[(3aS,6aR)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;1-[4-chloro-1-[(2S)-2-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrazol-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrazin-2-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(C5(C(=O)O)CCOCC5)cc4C(F)(F)F)CC3C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(-n4cccn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(Oc5cnccn5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4cccc(C5CCCC5)c4)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2CCC(N(C)Cc3ccc(C)cc3N3CCCC3)C[C@@H]2C)cc1Cl.

What is the InChIKey of 1-[1-[(3aS,6aR)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;1-[4-chloro-1-[(2S)-2-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrazol-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrazin-2-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?

The InChIKey is ZUAIRYKAILHRQD-GXSOQPFLSA-N. The full InChI is InChI=1S/C26H29F3N4O5.C25H34ClN5O2.C25H28N6O3.C25H30N6O2.C25H31N3O3/c1-16(34)22-4-7-33(30-22)24(37)32-14-18-12-31(13-19(18)15-32)11-17-2-3-20(10-21(17)26(27,28)29)25(23(35)36)5-8-38-9-6-25;1-17-7-8-20(23(13-17)29-10-5-6-11-29)15-28(4)21-9-12-30(18(2)14-21)25(33)31-16-22(26)24(27-31)19(3)32;1-19(32)22-5-11-31(28-22)24(33)30-13-7-25(8-14-30)6-12-29(18-25)17-20-3-2-4-21(15-20)34-23-16-26-9-10-27-23;1-19-15-21(17-22(16-19)30-11-4-9-26-30)18-29-10-3-6-25(29)7-13-28(14-8-25)24(33)31-12-5-23(27-31)20(2)32;1-17(29)24-9-10-28(26-24)25(30)27-14-21-12-23(13-22(21)15-27)31-16-18-5-4-8-20(11-18)19-6-2-3-7-19/h2-4,7,10,18-19H,5-6,8-9,11-15H2,1H3,(H,35,36);7-8,13,16,18,21H,5-6,9-12,14-15H2,1-4H3;2-5,9-11,15-16H,6-8,12-14,17-18H2,1H3;4-5,9,11-12,15-17H,3,6-8,10,13-14,18H2,1-2H3;4-5,8-11,19,21-23H,2-3,6-7,12-16H2,1H3/t;18-,21?;;;21-,22+,23?/m.0.../s1.

What are the key properties of 1-[1-[(3aS,6aR)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;1-[4-chloro-1-[(2S)-2-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrazol-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrazin-2-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?

1-[1-[(3aS,6aR)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;1-[4-chloro-1-[(2S)-2-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrazol-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrazin-2-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2335.20 g/mol, XLogP of 19.81, 24 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(3aS,6aR)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;1-[4-chloro-1-[(2S)-2-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrazol-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrazin-2-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 162220284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).