dicesium;4-amino-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;tert-butyl N-[1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-(3-oxocyclopentyl)carbamate;4-chlorobutanoyl chloride;4-chloro-N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]butanamide;hydride;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;oxido formate;3,4,5-trifluoroaniline

C110H137Cl3Cs2F12IN25O19 — CID 160717286

IUPACdicesium;4-amino-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;tert-butyl N-[1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-(3-oxocyclopentyl)carbamate;4-chlorobutanoyl chloride;4-chloro-N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]butanamide;hydride;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;oxido formate;3,4,5-trifluoroaniline
SMILESCC(C)(C)OC(=O)NC1CCC(=O)C1.C[C@H]1Cn2ncc(I)c2CN1.C[C@H]1Cn2ncc(N3CC(N)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CC(NC(=O)CCCCl)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CC(NC(=O)OC(C)(C)C)CC3=O)c2CN1.C[C@H]1Cn2ncc(N3CC(NC(=O)OC(C)(C)C)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.Nc1cc(F)c(F)c(F)c1.O=C(Cl)CCCCl.O=CO[O-].[Cs+].[Cs+].[H-]
InChIInChI=1S/C24H28F3N5O4.C23H25ClF3N5O3.C19H20F3N5O2.C16H25N5O3.C10H17NO3.C7H10IN3.C6H4F3N.C4H6Cl2O.CH2O3.2Cs.H/c1-13-10-32-19(12-30(13)20(33)7-14-5-16(25)22(27)17(26)6-14)18(9-28-32)31-11-15(8-21(31)34)29-23(35)36-24(2,3)4;1-13-10-32-19(12-30(13)21(34)7-14-5-16(25)23(27)17(26)6-14)18(9-28-32)31-11-15(8-22(31)35)29-20(33)3-2-4-24;1-10-7-27-16(15(6-24-27)26-8-12(23)5-18(26)29)9-25(10)17(28)4-11-2-13(20)19(22)14(21)3-11;1-10-8-21-13(6-17-10)12(7-18-21)20-9-11(5-14(20)22)19-15(23)24-16(2,3)4;1-10(2,3)14-9(13)11-7-4-5-8(12)6-7;1-5-4-11-7(3-9-5)6(8)2-10-11;7-4-1-3(10)2-5(8)6(4)9;5-3-1-2-4(6)7;2-1-4-3;;;/h5-6,9,13,15H,7-8,10-12H2,1-4H3,(H,29,35);5-6,9,13,15H,2-4,7-8,10-12H2,1H3,(H,29,33);2-3,6,10,12H,4-5,7-9,23H2,1H3;7,10-11,17H,5-6,8-9H2,1-4H3,(H,19,23);7H,4-6H2,1-3H3,(H,11,13);2,5,9H,3-4H2,1H3;1-2H,10H2;1-3H2;1,3H;;;/q;;;;;;;;;2*+1;-1/p-1/t2*13-,15?;10-,12?;10-,11?;;5-;;;;;;/m0000.0....../s1
InChIKeyCMLLIQJNDNWWPT-QIIZKGRRSA-M
MW2840.51 g/mol
LogP6.38
Rot. Bonds21

About dicesium;4-amino-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;tert-butyl N-[1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-(3-oxocyclopentyl)carbamate;4-chlorobutanoyl chloride;4-chloro-N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]butanamide;hydride;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;oxido formate;3,4,5-trifluoroaniline

dicesium;4-amino-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;tert-butyl N-[1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-(3-oxocyclopentyl)carbamate;4-chlorobutanoyl chloride;4-chloro-N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]butanamide;hydride;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;oxido formate;3,4,5-trifluoroaniline (PubChem CID 160717286) has the molecular formula C110H137Cl3Cs2F12IN25O19 and a molecular weight of 2840.51 g/mol. Its IUPAC name is dicesium;4-amino-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;tert-butyl N-[1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-(3-oxocyclopentyl)carbamate;4-chlorobutanoyl chloride;4-chloro-N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]butanamide;hydride;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;oxido formate;3,4,5-trifluoroaniline.

Molecular Properties

Compound Namedicesium;4-amino-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;tert-butyl N-[1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-(3-oxocyclopentyl)carbamate;4-chlorobutanoyl chloride;4-chloro-N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]butanamide;hydride;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;oxido formate;3,4,5-trifluoroaniline
PubChem CID160717286
Molecular FormulaC110H137Cl3Cs2F12IN25O19
Molecular Weight2840.51 g/mol
Exact Mass2837.66
IUPAC Namedicesium;4-amino-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;tert-butyl N-[1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-(3-oxocyclopentyl)carbamate;4-chlorobutanoyl chloride;4-chloro-N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]butanamide;hydride;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;oxido formate;3,4,5-trifluoroaniline
SMILESCC(C)(C)OC(=O)NC1CCC(=O)C1.C[C@H]1Cn2ncc(I)c2CN1.C[C@H]1Cn2ncc(N3CC(N)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CC(NC(=O)CCCCl)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CC(NC(=O)OC(C)(C)C)CC3=O)c2CN1.C[C@H]1Cn2ncc(N3CC(NC(=O)OC(C)(C)C)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.Nc1cc(F)c(F)c(F)c1.O=C(Cl)CCCCl.O=CO[O-].[Cs+].[Cs+].[H-]
InChIInChI=1S/C24H28F3N5O4.C23H25ClF3N5O3.C19H20F3N5O2.C16H25N5O3.C10H17NO3.C7H10IN3.C6H4F3N.C4H6Cl2O.CH2O3.2Cs.H/c1-13-10-32-19(12-30(13)20(33)7-14-5-16(25)22(27)17(26)6-14)18(9-28-32)31-11-15(8-21(31)34)29-23(35)36-24(2,3)4;1-13-10-32-19(12-30(13)21(34)7-14-5-16(25)23(27)17(26)6-14)18(9-28-32)31-11-15(8-22(31)35)29-20(33)3-2-4-24;1-10-7-27-16(15(6-24-27)26-8-12(23)5-18(26)29)9-25(10)17(28)4-11-2-13(20)19(22)14(21)3-11;1-10-8-21-13(6-17-10)12(7-18-21)20-9-11(5-14(20)22)19-15(23)24-16(2,3)4;1-10(2,3)14-9(13)11-7-4-5-8(12)6-7;1-5-4-11-7(3-9-5)6(8)2-10-11;7-4-1-3(10)2-5(8)6(4)9;5-3-1-2-4(6)7;2-1-4-3;;;/h5-6,9,13,15H,7-8,10-12H2,1-4H3,(H,29,35);5-6,9,13,15H,2-4,7-8,10-12H2,1H3,(H,29,33);2-3,6,10,12H,4-5,7-9,23H2,1H3;7,10-11,17H,5-6,8-9H2,1-4H3,(H,19,23);7H,4-6H2,1-3H3,(H,11,13);2,5,9H,3-4H2,1H3;1-2H,10H2;1-3H2;1,3H;;;/q;;;;;;;;;2*+1;-1/p-1/t2*13-,15?;10-,12?;10-,11?;;5-;;;;;;/m0000.0....../s1
InChIKeyCMLLIQJNDNWWPT-QIIZKGRRSA-M
XLogP6.38
TPSA534.96 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds21
Heavy Atoms172
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002840.51
LogP ≤ 56.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze dicesium;4-amino-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;tert-butyl N-[1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-(3-oxocyclopentyl)carbamate;4-chlorobutanoyl chloride;4-chloro-N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]butanamide;hydride;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;oxido formate;3,4,5-trifluoroaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of dicesium;4-amino-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;tert-butyl N-[1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-(3-oxocyclopentyl)carbamate;4-chlorobutanoyl chloride;4-chloro-N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]butanamide;hydride;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;oxido formate;3,4,5-trifluoroaniline?
The IUPAC name of dicesium;4-amino-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;tert-butyl N-[1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-(3-oxocyclopentyl)carbamate;4-chlorobutanoyl chloride;4-chloro-N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]butanamide;hydride;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;oxido formate;3,4,5-trifluoroaniline (CID 160717286) is dicesium;4-amino-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;tert-butyl N-[1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-(3-oxocyclopentyl)carbamate;4-chlorobutanoyl chloride;4-chloro-N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]butanamide;hydride;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;oxido formate;3,4,5-trifluoroaniline.
What is the SMILES notation for dicesium;4-amino-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;tert-butyl N-[1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-(3-oxocyclopentyl)carbamate;4-chlorobutanoyl chloride;4-chloro-N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]butanamide;hydride;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;oxido formate;3,4,5-trifluoroaniline?
The canonical SMILES for dicesium;4-amino-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;tert-butyl N-[1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-(3-oxocyclopentyl)carbamate;4-chlorobutanoyl chloride;4-chloro-N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]butanamide;hydride;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;oxido formate;3,4,5-trifluoroaniline is CC(C)(C)OC(=O)NC1CCC(=O)C1.C[C@H]1Cn2ncc(I)c2CN1.C[C@H]1Cn2ncc(N3CC(N)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CC(NC(=O)CCCCl)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CC(NC(=O)OC(C)(C)C)CC3=O)c2CN1.C[C@H]1Cn2ncc(N3CC(NC(=O)OC(C)(C)C)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.Nc1cc(F)c(F)c(F)c1.O=C(Cl)CCCCl.O=CO[O-].[Cs+].[Cs+].[H-].
What is the InChIKey of dicesium;4-amino-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;tert-butyl N-[1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-(3-oxocyclopentyl)carbamate;4-chlorobutanoyl chloride;4-chloro-N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]butanamide;hydride;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;oxido formate;3,4,5-trifluoroaniline?
The InChIKey is CMLLIQJNDNWWPT-QIIZKGRRSA-M. The full InChI is InChI=1S/C24H28F3N5O4.C23H25ClF3N5O3.C19H20F3N5O2.C16H25N5O3.C10H17NO3.C7H10IN3.C6H4F3N.C4H6Cl2O.CH2O3.2Cs.H/c1-13-10-32-19(12-30(13)20(33)7-14-5-16(25)22(27)17(26)6-14)18(9-28-32)31-11-15(8-21(31)34)29-23(35)36-24(2,3)4;1-13-10-32-19(12-30(13)21(34)7-14-5-16(25)23(27)17(26)6-14)18(9-28-32)31-11-15(8-22(31)35)29-20(33)3-2-4-24;1-10-7-27-16(15(6-24-27)26-8-12(23)5-18(26)29)9-25(10)17(28)4-11-2-13(20)19(22)14(21)3-11;1-10-8-21-13(6-17-10)12(7-18-21)20-9-11(5-14(20)22)19-15(23)24-16(2,3)4;1-10(2,3)14-9(13)11-7-4-5-8(12)6-7;1-5-4-11-7(3-9-5)6(8)2-10-11;7-4-1-3(10)2-5(8)6(4)9;5-3-1-2-4(6)7;2-1-4-3;;;/h5-6,9,13,15H,7-8,10-12H2,1-4H3,(H,29,35);5-6,9,13,15H,2-4,7-8,10-12H2,1H3,(H,29,33);2-3,6,10,12H,4-5,7-9,23H2,1H3;7,10-11,17H,5-6,8-9H2,1-4H3,(H,19,23);7H,4-6H2,1-3H3,(H,11,13);2,5,9H,3-4H2,1H3;1-2H,10H2;1-3H2;1,3H;;;/q;;;;;;;;;2*+1;-1/p-1/t2*13-,15?;10-,12?;10-,11?;;5-;;;;;;/m0000.0....../s1.
What are the key properties of dicesium;4-amino-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;tert-butyl N-[1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-(3-oxocyclopentyl)carbamate;4-chlorobutanoyl chloride;4-chloro-N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]butanamide;hydride;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;oxido formate;3,4,5-trifluoroaniline?
dicesium;4-amino-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;tert-butyl N-[1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-(3-oxocyclopentyl)carbamate;4-chlorobutanoyl chloride;4-chloro-N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]butanamide;hydride;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;oxido formate;3,4,5-trifluoroaniline has a molecular weight of 2840.51 g/mol, XLogP of 6.38, 21 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;4-amino-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;tert-butyl N-[1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-(3-oxocyclopentyl)carbamate;4-chlorobutanoyl chloride;4-chloro-N-[1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]butanamide;hydride;(6S)-3-iodo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;oxido formate;3,4,5-trifluoroaniline is sourced from PubChem (CID 160717286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).