5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2,3,3-trideuterio-2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;methane;phosphanylphosphane;(6S,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;hydrate

C135H165F7N38O12P2 — CID 158758111

About 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2,3,3-trideuterio-2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;methane;phosphanylphosphane;(6S,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;hydrate

5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2,3,3-trideuterio-2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;methane;phosphanylphosphane;(6S,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;hydrate (PubChem CID 158758111) has the molecular formula C135H165F7N38O12P2 and a molecular weight of 2726.11 g/mol. Its IUPAC name is 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2,3,3-trideuterio-2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;methane;phosphanylphosphane;(6S,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;hydrate.

Molecular Properties

• Compound Name: 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2,3,3-trideuterio-2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;methane;phosphanylphosphane;(6S,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;hydrate
• PubChem CID: 158758111
• Molecular Formula: C135H165F7N38O12P2
• Molecular Weight: 2726.11 g/mol
• Exact Mass: 2724.40
• IUPAC Name: 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2,3,3-trideuterio-2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;methane;phosphanylphosphane;(6S,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;hydrate
• SMILES: C.C.C.NN.O.PP.[2H]C1([2H])CCN(c2ccn3ncc(C(=O)O)c3n2)C1([2H])c1cc(F)cnc1CC[C@@H](C)N.[2H]C1([2H])CCN(c2ccn3ncc(C(=O)OCC)c3n2)C1([2H])c1cc(F)cnc1CC[C@@H](C)N.[2H]C1([2H])CCN(c2ccn3ncc(C(=O)OCC)c3n2)C1([2H])c1cc(F)cnc1CC[C@@H](C)N1C(=O)c2ccccc2C1=O.[2H]C1([2H])CCN2c3ccn4ncc(c4n3)C(=O)N[C@H](C)CCc3ncc(F)cc3C21[2H].[2H]C1([2H])CCN2c3ccn4ncc(c4n3)C(=O)N[C@H](C)CCc3ncc(F)cc3[C@@]21[2H].[2H]C1([2H])CCN2c3ccn4ncc(c4n3)C(=O)N[C@H](C)CCc3ncc(F)cc3[C@]21[2H].[2H]F
• InChI: InChI=1S/C30H29FN6O4.C22H27FN6O2.C20H23FN6O2.3C20H21FN6O.3CH4.FH.H4N2.H2O.H4P2/c1-3-41-30(40)23-17-33-36-14-12-26(34-27(23)36)35-13-6-9-25(35)22-15-19(31)16-32-24(22)11-10-18(2)37-28(38)20-7-4-5-8-21(20)29(37)39;1-3-31-22(30)17-13-26-29-10-8-20(27-21(17)29)28-9-4-5-19(28)16-11-15(23)12-25-18(16)7-6-14(2)24;1-12(22)4-5-16-14(9-13(21)10-23-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-24-27)20(28)29;3*1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12;;;;;1-2;;1-2/h4-5,7-8,12,14-18,25H,3,6,9-11,13H2,1-2H3;8,10-14,19H,3-7,9,24H2,1-2H3;6,8-12,17H,2-5,7,22H2,1H3,(H,28,29);3*6,8-12,17H,2-5,7H2,1H3,(H,24,28);3*1H4;1H;1-2H2;1H2;1-2H2/t18-,25?;14-,19?;2*12-,17?;12-,17+;12-,17-;;;;;;;/m111111......./s1/i9D2,25D;5D2,19D;4*3D2,17D;;;;;;;/hD
• InChIKey: QAOBOWIVLCAGPB-FEKYVZQZSA-N
• XLogP: 18.76
• TPSA: 628.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 44
• Rotatable Bonds: 21
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2726.11
LogP ≤ 5	18.76
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2,3,3-trideuterio-2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;methane;phosphanylphosphane;(6S,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;hydrate?

The IUPAC name of 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2,3,3-trideuterio-2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;methane;phosphanylphosphane;(6S,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;hydrate (CID 158758111) is 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2,3,3-trideuterio-2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;methane;phosphanylphosphane;(6S,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;hydrate.

What is the SMILES notation for 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2,3,3-trideuterio-2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;methane;phosphanylphosphane;(6S,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;hydrate?

The canonical SMILES for 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2,3,3-trideuterio-2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;methane;phosphanylphosphane;(6S,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;hydrate is C.C.C.NN.O.PP.[2H]C1([2H])CCN(c2ccn3ncc(C(=O)O)c3n2)C1([2H])c1cc(F)cnc1CC[C@@H](C)N.[2H]C1([2H])CCN(c2ccn3ncc(C(=O)OCC)c3n2)C1([2H])c1cc(F)cnc1CC[C@@H](C)N.[2H]C1([2H])CCN(c2ccn3ncc(C(=O)OCC)c3n2)C1([2H])c1cc(F)cnc1CC[C@@H](C)N1C(=O)c2ccccc2C1=O.[2H]C1([2H])CCN2c3ccn4ncc(c4n3)C(=O)N[C@H](C)CCc3ncc(F)cc3C21[2H].[2H]C1([2H])CCN2c3ccn4ncc(c4n3)C(=O)N[C@H](C)CCc3ncc(F)cc3[C@@]21[2H].[2H]C1([2H])CCN2c3ccn4ncc(c4n3)C(=O)N[C@H](C)CCc3ncc(F)cc3[C@]21[2H].[2H]F.

What is the InChIKey of 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2,3,3-trideuterio-2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;methane;phosphanylphosphane;(6S,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;hydrate?

The InChIKey is QAOBOWIVLCAGPB-FEKYVZQZSA-N. The full InChI is InChI=1S/C30H29FN6O4.C22H27FN6O2.C20H23FN6O2.3C20H21FN6O.3CH4.FH.H4N2.H2O.H4P2/c1-3-41-30(40)23-17-33-36-14-12-26(34-27(23)36)35-13-6-9-25(35)22-15-19(31)16-32-24(22)11-10-18(2)37-28(38)20-7-4-5-8-21(20)29(37)39;1-3-31-22(30)17-13-26-29-10-8-20(27-21(17)29)28-9-4-5-19(28)16-11-15(23)12-25-18(16)7-6-14(2)24;1-12(22)4-5-16-14(9-13(21)10-23-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-24-27)20(28)29;3*1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12;;;;;1-2;;1-2/h4-5,7-8,12,14-18,25H,3,6,9-11,13H2,1-2H3;8,10-14,19H,3-7,9,24H2,1-2H3;6,8-12,17H,2-5,7,22H2,1H3,(H,28,29);3*6,8-12,17H,2-5,7H2,1H3,(H,24,28);3*1H4;1H;1-2H2;1H2;1-2H2/t18-,25?;14-,19?;2*12-,17?;12-,17+;12-,17-;;;;;;;/m111111......./s1/i9D2,25D;5D2,19D;4*3D2,17D;;;;;;;/hD.

What are the key properties of 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2,3,3-trideuterio-2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;methane;phosphanylphosphane;(6S,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;hydrate?

5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2,3,3-trideuterio-2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;methane;phosphanylphosphane;(6S,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;hydrate has a molecular weight of 2726.11 g/mol, XLogP of 18.76, 21 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-2,3,3-trideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2,3,3-trideuterio-2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;methane;phosphanylphosphane;(6S,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R,15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(15R)-5,5,6-trideuterio-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;hydrate is sourced from PubChem (CID 158758111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).