5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[(2S)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide

C113H112F14N42O12 — CID 172989159

IUPAC5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[(2S)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide
SMILESCOCCOc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(/C(N)=N/O)c2n1.COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(/C(N)=N/O)c2n1.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)cc(F)c1.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)cc(F)c1F.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)ccc1F.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)ccc1OC(F)(F)F.C[C@H]1Cc2cc(F)cc([C@@H](C)Nc3ccn4ncc(/C(N)=N/O)c4n3)c2O1
InChIInChI=1S/C18H21FN6O3.C18H19FN6O2.C16H14F4N6O2.C16H17FN6O2.C15H13F3N6O.2C15H14F2N6O/c1-11(13-9-12(19)3-4-15(13)28-8-7-27-2)22-16-5-6-25-18(23-16)14(10-21-25)17(20)24-26;1-9-5-11-6-12(19)7-13(16(11)27-9)10(2)22-15-3-4-25-18(23-15)14(8-21-25)17(20)24-26;1-8(10-6-9(17)2-3-12(10)28-16(18,19)20)23-13-4-5-26-15(24-13)11(7-22-26)14(21)25-27;1-9(11-7-10(17)3-4-13(11)25-2)20-14-5-6-23-16(21-14)12(8-19-23)15(18)22-24;1-7(9-4-8(16)5-11(17)13(9)18)21-12-2-3-24-15(22-12)10(6-20-24)14(19)23-25;1-8(9-4-10(16)6-11(17)5-9)20-13-2-3-23-15(21-13)12(7-19-23)14(18)22-24;1-8(10-6-9(16)2-3-12(10)17)20-13-4-5-23-15(21-13)11(7-19-23)14(18)22-24/h3-6,9-11,26H,7-8H2,1-2H3,(H2,20,24)(H,22,23);3-4,6-10,26H,5H2,1-2H3,(H2,20,24)(H,22,23);2-8,27H,1H3,(H2,21,25)(H,23,24);3-9,24H,1-2H3,(H2,18,22)(H,20,21);2-7,25H,1H3,(H2,19,23)(H,21,22);2*2-8,24H,1H3,(H2,18,22)(H,20,21)/t11-;9-,10+;8-;9-;7-;2*8-/m1011111/s1
InChIKeyLVDJGAXJYSDQST-CXBZGGDHSA-N
MW2516.39 g/mol
LogP16.76
Rot. Bonds34

About 5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[(2S)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide

5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[(2S)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide (PubChem CID 172989159) has the molecular formula C113H112F14N42O12 and a molecular weight of 2516.39 g/mol. Its IUPAC name is 5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[(2S)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide.

Molecular Properties

Compound Name5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[(2S)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide
PubChem CID172989159
Molecular FormulaC113H112F14N42O12
Molecular Weight2516.39 g/mol
Exact Mass2514.92
IUPAC Name5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[(2S)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide
SMILESCOCCOc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(/C(N)=N/O)c2n1.COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(/C(N)=N/O)c2n1.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)cc(F)c1.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)cc(F)c1F.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)ccc1F.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)ccc1OC(F)(F)F.C[C@H]1Cc2cc(F)cc([C@@H](C)Nc3ccn4ncc(/C(N)=N/O)c4n3)c2O1
InChIInChI=1S/C18H21FN6O3.C18H19FN6O2.C16H14F4N6O2.C16H17FN6O2.C15H13F3N6O.2C15H14F2N6O/c1-11(13-9-12(19)3-4-15(13)28-8-7-27-2)22-16-5-6-25-18(23-16)14(10-21-25)17(20)24-26;1-9-5-11-6-12(19)7-13(16(11)27-9)10(2)22-15-3-4-25-18(23-15)14(8-21-25)17(20)24-26;1-8(10-6-9(17)2-3-12(10)28-16(18,19)20)23-13-4-5-26-15(24-13)11(7-22-26)14(21)25-27;1-9(11-7-10(17)3-4-13(11)25-2)20-14-5-6-23-16(21-14)12(8-19-23)15(18)22-24;1-7(9-4-8(16)5-11(17)13(9)18)21-12-2-3-24-15(22-12)10(6-20-24)14(19)23-25;1-8(9-4-10(16)6-11(17)5-9)20-13-2-3-23-15(21-13)12(7-19-23)14(18)22-24;1-8(10-6-9(16)2-3-12(10)17)20-13-4-5-23-15(21-13)11(7-19-23)14(18)22-24/h3-6,9-11,26H,7-8H2,1-2H3,(H2,20,24)(H,22,23);3-4,6-10,26H,5H2,1-2H3,(H2,20,24)(H,22,23);2-8,27H,1H3,(H2,21,25)(H,23,24);3-9,24H,1-2H3,(H2,18,22)(H,20,21);2-7,25H,1H3,(H2,19,23)(H,21,22);2*2-8,24H,1H3,(H2,18,22)(H,20,21)/t11-;9-,10+;8-;9-;7-;2*8-/m1011111/s1
InChIKeyLVDJGAXJYSDQST-CXBZGGDHSA-N
XLogP16.76
TPSA751.96 Ų
H-Bond Donors21
H-Bond Acceptors47
Rotatable Bonds34
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002516.39
LogP ≤ 516.76
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze 5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[(2S)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[(2S)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The IUPAC name of 5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[(2S)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide (CID 172989159) is 5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[(2S)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide.
What is the SMILES notation for 5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[(2S)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The canonical SMILES for 5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[(2S)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide is COCCOc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(/C(N)=N/O)c2n1.COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(/C(N)=N/O)c2n1.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)cc(F)c1.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)cc(F)c1F.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)ccc1F.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)ccc1OC(F)(F)F.C[C@H]1Cc2cc(F)cc([C@@H](C)Nc3ccn4ncc(/C(N)=N/O)c4n3)c2O1.
What is the InChIKey of 5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[(2S)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The InChIKey is LVDJGAXJYSDQST-CXBZGGDHSA-N. The full InChI is InChI=1S/C18H21FN6O3.C18H19FN6O2.C16H14F4N6O2.C16H17FN6O2.C15H13F3N6O.2C15H14F2N6O/c1-11(13-9-12(19)3-4-15(13)28-8-7-27-2)22-16-5-6-25-18(23-16)14(10-21-25)17(20)24-26;1-9-5-11-6-12(19)7-13(16(11)27-9)10(2)22-15-3-4-25-18(23-15)14(8-21-25)17(20)24-26;1-8(10-6-9(17)2-3-12(10)28-16(18,19)20)23-13-4-5-26-15(24-13)11(7-22-26)14(21)25-27;1-9(11-7-10(17)3-4-13(11)25-2)20-14-5-6-23-16(21-14)12(8-19-23)15(18)22-24;1-7(9-4-8(16)5-11(17)13(9)18)21-12-2-3-24-15(22-12)10(6-20-24)14(19)23-25;1-8(9-4-10(16)6-11(17)5-9)20-13-2-3-23-15(21-13)12(7-19-23)14(18)22-24;1-8(10-6-9(16)2-3-12(10)17)20-13-4-5-23-15(21-13)11(7-19-23)14(18)22-24/h3-6,9-11,26H,7-8H2,1-2H3,(H2,20,24)(H,22,23);3-4,6-10,26H,5H2,1-2H3,(H2,20,24)(H,22,23);2-8,27H,1H3,(H2,21,25)(H,23,24);3-9,24H,1-2H3,(H2,18,22)(H,20,21);2-7,25H,1H3,(H2,19,23)(H,21,22);2*2-8,24H,1H3,(H2,18,22)(H,20,21)/t11-;9-,10+;8-;9-;7-;2*8-/m1011111/s1.
What are the key properties of 5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[(2S)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide?
5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[(2S)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide has a molecular weight of 2516.39 g/mol, XLogP of 16.76, 34 rotatable bonds, 21 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[(2S)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide is sourced from PubChem (CID 172989159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).