lithium;cyclopentanone;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide

C70H77F18LiN10O14 — CID 159223484

About lithium;cyclopentanone;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide

lithium;cyclopentanone;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide (PubChem CID 159223484) has the molecular formula C70H77F18LiN10O14 and a molecular weight of 1631.35 g/mol. Its IUPAC name is lithium;cyclopentanone;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide.

Molecular Properties

• Compound Name: lithium;cyclopentanone;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide
• PubChem CID: 159223484
• Molecular Formula: C70H77F18LiN10O14
• Molecular Weight: 1631.35 g/mol
• Exact Mass: 1630.55
• IUPAC Name: lithium;cyclopentanone;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide
• SMILES: CCOC(=O)C(F)(F)F.CCOC(=O)CCN.CCOC(=O)Cn1nc2c(c1C(F)(F)F)CCC2.NC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc3c(c2C(F)(F)F)CCC3)ccc1F.O=C(O)Cn1nc2c(c1C(F)(F)F)CCC2.O=C1CCCC1.O=C1CCCC1C(=O)C(F)(F)F.[Li+].[OH-]
• InChI: InChI=1S/C29H23F6N5O2.C11H13F3N2O2.C9H9F3N2O2.C7H7F3O2.C5H11NO2.C5H8O.C4H5F3O2.Li.H2O/c30-17-9-15(10-18(31)13-17)11-24(26-19(4-2-8-37-26)16-6-7-22(32)21(12-16)28(36)42)38-25(41)14-40-27(29(33,34)35)20-3-1-5-23(20)39-40;1-2-18-9(17)6-16-10(11(12,13)14)7-4-3-5-8(7)15-16;10-9(11,12)8-5-2-1-3-6(5)13-14(8)4-7(15)16;8-7(9,10)6(12)4-2-1-3-5(4)11;1-2-8-5(7)3-4-6;6-5-3-1-2-4-5;1-2-9-3(8)4(5,6)7;;/h2,4,6-10,12-13,24H,1,3,5,11,14H2,(H2,36,42)(H,38,41);2-6H2,1H3;1-4H2,(H,15,16);4H,1-3H2;2-4,6H2,1H3;1-4H2;2H2,1H3;;1H2/q;;;;;;;+1;/p-1/t24-;;;;;;;;/m0......../s1
• InChIKey: KRZKHUZQHLXMQF-RVYAKBHJSA-M
• XLogP: 8.95
• TPSA: 361.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1631.35
LogP ≤ 5	8.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;cyclopentanone;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide?

The IUPAC name of lithium;cyclopentanone;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide (CID 159223484) is lithium;cyclopentanone;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide.

What is the SMILES notation for lithium;cyclopentanone;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide?

The canonical SMILES for lithium;cyclopentanone;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide is CCOC(=O)C(F)(F)F.CCOC(=O)CCN.CCOC(=O)Cn1nc2c(c1C(F)(F)F)CCC2.NC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc3c(c2C(F)(F)F)CCC3)ccc1F.O=C(O)Cn1nc2c(c1C(F)(F)F)CCC2.O=C1CCCC1.O=C1CCCC1C(=O)C(F)(F)F.[Li+].[OH-].

What is the InChIKey of lithium;cyclopentanone;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide?

The InChIKey is KRZKHUZQHLXMQF-RVYAKBHJSA-M. The full InChI is InChI=1S/C29H23F6N5O2.C11H13F3N2O2.C9H9F3N2O2.C7H7F3O2.C5H11NO2.C5H8O.C4H5F3O2.Li.H2O/c30-17-9-15(10-18(31)13-17)11-24(26-19(4-2-8-37-26)16-6-7-22(32)21(12-16)28(36)42)38-25(41)14-40-27(29(33,34)35)20-3-1-5-23(20)39-40;1-2-18-9(17)6-16-10(11(12,13)14)7-4-3-5-8(7)15-16;10-9(11,12)8-5-2-1-3-6(5)13-14(8)4-7(15)16;8-7(9,10)6(12)4-2-1-3-5(4)11;1-2-8-5(7)3-4-6;6-5-3-1-2-4-5;1-2-9-3(8)4(5,6)7;;/h2,4,6-10,12-13,24H,1,3,5,11,14H2,(H2,36,42)(H,38,41);2-6H2,1H3;1-4H2,(H,15,16);4H,1-3H2;2-4,6H2,1H3;1-4H2;2H2,1H3;;1H2/q;;;;;;;+1;/p-1/t24-;;;;;;;;/m0......../s1.

What are the key properties of lithium;cyclopentanone;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide?

lithium;cyclopentanone;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide has a molecular weight of 1631.35 g/mol, XLogP of 8.95, 18 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;cyclopentanone;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide is sourced from PubChem (CID 159223484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).