5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)but-1-ynyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[(3R)-1,1,2,2-tetradeuterio-3-(1,3-dioxoisoindol-2-yl)butyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;phosphanylphosphane;hydrate

C121H132F9N31O18P2S — CID 158214969

IUPAC5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)but-1-ynyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[(3R)-1,1,2,2-tetradeuterio-3-(1,3-dioxoisoindol-2-yl)butyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;phosphanylphosphane;hydrate
SMILESCCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3C#C[C@@H](C)N3C(=O)c4ccccc4C3=O)nc12.CCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3OS(=O)(=O)C(F)(F)F)nc12.NN.O.PP.[2H]C([2H])(c1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)O)c2n1)C([2H])([2H])[C@@H](C)N.[2H]C([2H])(c1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)OCC)c2n1)C([2H])([2H])[C@@H](C)N.[2H]C([2H])(c1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)OCC)c2n1)C([2H])([2H])[C@@H](C)N1C(=O)c2ccccc2C1=O.[2H]F
InChIInChI=1S/C30H29FN6O4.C30H25FN6O4.C22H27FN6O2.C20H23FN6O2.C19H17F4N5O5S.FH.H4N2.H2O.H4P2/c2*1-3-41-30(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;1-2-32-18(29)13-10-25-28-7-5-15(26-16(13)28)27-6-3-4-14(27)12-8-11(20)9-24-17(12)33-34(30,31)19(21,22)23;;1-2;;1-2/h4-5,7-8,12,14-18,25H,3,6,9-11,13H2,1-2H3;4-5,7-8,12,14-18,25H,3,6,9,13H2,1-2H3;8,10-14,19H,3-7,9,24H2,1-2H3;6,8-12,17H,2-5,7,22H2,1H3,(H,28,29);5,7-10,14H,2-4,6H2,1H3;1H;1-2H2;1H2;1-2H2/t2*18-,25?;14-,19?;12-,17?;;;;;/m1111...../s1/i10D2,11D2;;6D2,7D2;4D2,5D2;;;;;/hD
InChIKeyAYJYVTNTCKGLCW-WSJMGOPGSA-N
MW2586.66 g/mol
LogP15.67
Rot. Bonds32

About 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)but-1-ynyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[(3R)-1,1,2,2-tetradeuterio-3-(1,3-dioxoisoindol-2-yl)butyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;phosphanylphosphane;hydrate

5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)but-1-ynyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[(3R)-1,1,2,2-tetradeuterio-3-(1,3-dioxoisoindol-2-yl)butyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;phosphanylphosphane;hydrate (PubChem CID 158214969) has the molecular formula C121H132F9N31O18P2S and a molecular weight of 2586.66 g/mol. Its IUPAC name is 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)but-1-ynyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[(3R)-1,1,2,2-tetradeuterio-3-(1,3-dioxoisoindol-2-yl)butyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;phosphanylphosphane;hydrate.

Molecular Properties

Compound Name5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)but-1-ynyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[(3R)-1,1,2,2-tetradeuterio-3-(1,3-dioxoisoindol-2-yl)butyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;phosphanylphosphane;hydrate
PubChem CID158214969
Molecular FormulaC121H132F9N31O18P2S
Molecular Weight2586.66 g/mol
Exact Mass2585.02
IUPAC Name5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)but-1-ynyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[(3R)-1,1,2,2-tetradeuterio-3-(1,3-dioxoisoindol-2-yl)butyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;phosphanylphosphane;hydrate
SMILESCCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3C#C[C@@H](C)N3C(=O)c4ccccc4C3=O)nc12.CCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3OS(=O)(=O)C(F)(F)F)nc12.NN.O.PP.[2H]C([2H])(c1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)O)c2n1)C([2H])([2H])[C@@H](C)N.[2H]C([2H])(c1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)OCC)c2n1)C([2H])([2H])[C@@H](C)N.[2H]C([2H])(c1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)OCC)c2n1)C([2H])([2H])[C@@H](C)N1C(=O)c2ccccc2C1=O.[2H]F
InChIInChI=1S/C30H29FN6O4.C30H25FN6O4.C22H27FN6O2.C20H23FN6O2.C19H17F4N5O5S.FH.H4N2.H2O.H4P2/c2*1-3-41-30(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;1-2-32-18(29)13-10-25-28-7-5-15(26-16(13)28)27-6-3-4-14(27)12-8-11(20)9-24-17(12)33-34(30,31)19(21,22)23;;1-2;;1-2/h4-5,7-8,12,14-18,25H,3,6,9-11,13H2,1-2H3;4-5,7-8,12,14-18,25H,3,6,9,13H2,1-2H3;8,10-14,19H,3-7,9,24H2,1-2H3;6,8-12,17H,2-5,7,22H2,1H3,(H,28,29);5,7-10,14H,2-4,6H2,1H3;1H;1-2H2;1H2;1-2H2/t2*18-,25?;14-,19?;12-,17?;;;;;/m1111...../s1/i10D2,11D2;;6D2,7D2;4D2,5D2;;;;;/hD
InChIKeyAYJYVTNTCKGLCW-WSJMGOPGSA-N
XLogP15.67
TPSA627.81 Ų
H-Bond Donors5
H-Bond Acceptors45
Rotatable Bonds32
Heavy Atoms182
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002586.66
LogP ≤ 515.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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'}

Analyze 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)but-1-ynyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[(3R)-1,1,2,2-tetradeuterio-3-(1,3-dioxoisoindol-2-yl)butyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;phosphanylphosphane;hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)but-1-ynyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[(3R)-1,1,2,2-tetradeuterio-3-(1,3-dioxoisoindol-2-yl)butyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;phosphanylphosphane;hydrate?
The IUPAC name of 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)but-1-ynyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[(3R)-1,1,2,2-tetradeuterio-3-(1,3-dioxoisoindol-2-yl)butyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;phosphanylphosphane;hydrate (CID 158214969) is 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)but-1-ynyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[(3R)-1,1,2,2-tetradeuterio-3-(1,3-dioxoisoindol-2-yl)butyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;phosphanylphosphane;hydrate.
What is the SMILES notation for 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)but-1-ynyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[(3R)-1,1,2,2-tetradeuterio-3-(1,3-dioxoisoindol-2-yl)butyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;phosphanylphosphane;hydrate?
The canonical SMILES for 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)but-1-ynyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[(3R)-1,1,2,2-tetradeuterio-3-(1,3-dioxoisoindol-2-yl)butyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;phosphanylphosphane;hydrate is CCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3C#C[C@@H](C)N3C(=O)c4ccccc4C3=O)nc12.CCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3OS(=O)(=O)C(F)(F)F)nc12.NN.O.PP.[2H]C([2H])(c1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)O)c2n1)C([2H])([2H])[C@@H](C)N.[2H]C([2H])(c1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)OCC)c2n1)C([2H])([2H])[C@@H](C)N.[2H]C([2H])(c1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)OCC)c2n1)C([2H])([2H])[C@@H](C)N1C(=O)c2ccccc2C1=O.[2H]F.
What is the InChIKey of 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)but-1-ynyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[(3R)-1,1,2,2-tetradeuterio-3-(1,3-dioxoisoindol-2-yl)butyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;phosphanylphosphane;hydrate?
The InChIKey is AYJYVTNTCKGLCW-WSJMGOPGSA-N. The full InChI is InChI=1S/C30H29FN6O4.C30H25FN6O4.C22H27FN6O2.C20H23FN6O2.C19H17F4N5O5S.FH.H4N2.H2O.H4P2/c2*1-3-41-30(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;1-2-32-18(29)13-10-25-28-7-5-15(26-16(13)28)27-6-3-4-14(27)12-8-11(20)9-24-17(12)33-34(30,31)19(21,22)23;;1-2;;1-2/h4-5,7-8,12,14-18,25H,3,6,9-11,13H2,1-2H3;4-5,7-8,12,14-18,25H,3,6,9,13H2,1-2H3;8,10-14,19H,3-7,9,24H2,1-2H3;6,8-12,17H,2-5,7,22H2,1H3,(H,28,29);5,7-10,14H,2-4,6H2,1H3;1H;1-2H2;1H2;1-2H2/t2*18-,25?;14-,19?;12-,17?;;;;;/m1111...../s1/i10D2,11D2;;6D2,7D2;4D2,5D2;;;;;/hD.
What are the key properties of 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)but-1-ynyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[(3R)-1,1,2,2-tetradeuterio-3-(1,3-dioxoisoindol-2-yl)butyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;phosphanylphosphane;hydrate?
5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)but-1-ynyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[(3R)-1,1,2,2-tetradeuterio-3-(1,3-dioxoisoindol-2-yl)butyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;phosphanylphosphane;hydrate has a molecular weight of 2586.66 g/mol, XLogP of 15.67, 32 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[2-[(3R)-3-amino-1,1,2,2-tetradeuteriobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[2-[(3R)-3-(1,3-dioxoisoindol-2-yl)but-1-ynyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[(3R)-1,1,2,2-tetradeuterio-3-(1,3-dioxoisoindol-2-yl)butyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(2H)fluorane;hydrazine;phosphanylphosphane;hydrate is sourced from PubChem (CID 158214969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).