2-bicyclo[2.2.1]heptanyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-chlorophenyl)-[2-[(4-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2,5-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(4-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-methyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone

C160H152ClF9N26O16 — CID 159297410

IUPAC2-bicyclo[2.2.1]heptanyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-chlorophenyl)-[2-[(4-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2,5-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(4-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-methyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
SMILESCC(=O)N1CCn2nc(OCc3ccccc3)cc2C1.Cc1cc(F)cc(C(=O)N2CCn3nc(OCc4cccc(F)c4)cc3C2)c1.Cc1ccc(C(=O)N2CCn3nc(OCc4ccccc4)cc3C2)cc1C(F)(F)F.Cc1ccc(C(=O)N2CCn3nc(OCc4ccccc4)cc3C2)cn1.O=C(C1CC2CCC1C2)N1CCn2nc(OCc3ccccc3)cc2C1.O=C(c1cc(F)ccc1F)N1CCn2nc(OCc3cccc(F)c3)cc2C1.O=C(c1cccc(Cl)c1)N1CCn2nc(OCc3ccc(F)cc3)cc2C1.[C-]#[N+]c1ccc(COc2cc3n(n2)CCN(C(=O)c2ccccc2)C3)cc1
InChIInChI=1S/C22H20F3N3O2.C21H19F2N3O2.C21H18N4O2.C21H25N3O2.C20H17ClFN3O2.C20H16F3N3O2.C20H20N4O2.C15H17N3O2/c1-15-7-8-17(11-19(15)22(23,24)25)21(29)27-9-10-28-18(13-27)12-20(26-28)30-14-16-5-3-2-4-6-16;1-14-7-16(10-18(23)8-14)21(27)25-5-6-26-19(12-25)11-20(24-26)28-13-15-3-2-4-17(22)9-15;1-22-18-9-7-16(8-10-18)15-27-20-13-19-14-24(11-12-25(19)23-20)21(26)17-5-3-2-4-6-17;25-21(19-11-16-6-7-17(19)10-16)23-8-9-24-18(13-23)12-20(22-24)26-14-15-4-2-1-3-5-15;21-16-3-1-2-15(10-16)20(26)24-8-9-25-18(12-24)11-19(23-25)27-13-14-4-6-17(22)7-5-14;21-14-3-1-2-13(8-14)12-28-19-10-16-11-25(6-7-26(16)24-19)20(27)17-9-15(22)4-5-18(17)23;1-15-7-8-17(12-21-15)20(25)23-9-10-24-18(13-23)11-19(22-24)26-14-16-5-3-2-4-6-16;1-12(19)17-7-8-18-14(10-17)9-15(16-18)20-11-13-5-3-2-4-6-13/h2-8,11-12H,9-10,13-14H2,1H3;2-4,7-11H,5-6,12-13H2,1H3;2-10,13H,11-12,14-15H2;1-5,12,16-17,19H,6-11,13-14H2;1-7,10-11H,8-9,12-13H2;1-5,8-10H,6-7,11-12H2;2-8,11-12H,9-10,13-14H2,1H3;2-6,9H,7-8,10-11H2,1H3
InChIKeyLAXBRWIOUFLJNH-UHFFFAOYSA-N
MW2901.58 g/mol
LogP27.15
Rot. Bonds31

About 2-bicyclo[2.2.1]heptanyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-chlorophenyl)-[2-[(4-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2,5-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(4-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-methyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone

2-bicyclo[2.2.1]heptanyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-chlorophenyl)-[2-[(4-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2,5-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(4-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-methyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone (PubChem CID 159297410) has the molecular formula C160H152ClF9N26O16 and a molecular weight of 2901.58 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-chlorophenyl)-[2-[(4-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2,5-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(4-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-methyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-chlorophenyl)-[2-[(4-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2,5-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(4-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-methyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
PubChem CID159297410
Molecular FormulaC160H152ClF9N26O16
Molecular Weight2901.58 g/mol
Exact Mass2899.14
IUPAC Name2-bicyclo[2.2.1]heptanyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-chlorophenyl)-[2-[(4-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2,5-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(4-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-methyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
SMILESCC(=O)N1CCn2nc(OCc3ccccc3)cc2C1.Cc1cc(F)cc(C(=O)N2CCn3nc(OCc4cccc(F)c4)cc3C2)c1.Cc1ccc(C(=O)N2CCn3nc(OCc4ccccc4)cc3C2)cc1C(F)(F)F.Cc1ccc(C(=O)N2CCn3nc(OCc4ccccc4)cc3C2)cn1.O=C(C1CC2CCC1C2)N1CCn2nc(OCc3ccccc3)cc2C1.O=C(c1cc(F)ccc1F)N1CCn2nc(OCc3cccc(F)c3)cc2C1.O=C(c1cccc(Cl)c1)N1CCn2nc(OCc3ccc(F)cc3)cc2C1.[C-]#[N+]c1ccc(COc2cc3n(n2)CCN(C(=O)c2ccccc2)C3)cc1
InChIInChI=1S/C22H20F3N3O2.C21H19F2N3O2.C21H18N4O2.C21H25N3O2.C20H17ClFN3O2.C20H16F3N3O2.C20H20N4O2.C15H17N3O2/c1-15-7-8-17(11-19(15)22(23,24)25)21(29)27-9-10-28-18(13-27)12-20(26-28)30-14-16-5-3-2-4-6-16;1-14-7-16(10-18(23)8-14)21(27)25-5-6-26-19(12-25)11-20(24-26)28-13-15-3-2-4-17(22)9-15;1-22-18-9-7-16(8-10-18)15-27-20-13-19-14-24(11-12-25(19)23-20)21(26)17-5-3-2-4-6-17;25-21(19-11-16-6-7-17(19)10-16)23-8-9-24-18(13-23)12-20(22-24)26-14-15-4-2-1-3-5-15;21-16-3-1-2-15(10-16)20(26)24-8-9-25-18(12-24)11-19(23-25)27-13-14-4-6-17(22)7-5-14;21-14-3-1-2-13(8-14)12-28-19-10-16-11-25(6-7-26(16)24-19)20(27)17-9-15(22)4-5-18(17)23;1-15-7-8-17(12-21-15)20(25)23-9-10-24-18(13-23)11-19(22-24)26-14-16-5-3-2-4-6-16;1-12(19)17-7-8-18-14(10-17)9-15(16-18)20-11-13-5-3-2-4-6-13/h2-8,11-12H,9-10,13-14H2,1H3;2-4,7-11H,5-6,12-13H2,1H3;2-10,13H,11-12,14-15H2;1-5,12,16-17,19H,6-11,13-14H2;1-7,10-11H,8-9,12-13H2;1-5,8-10H,6-7,11-12H2;2-8,11-12H,9-10,13-14H2,1H3;2-6,9H,7-8,10-11H2,1H3
InChIKeyLAXBRWIOUFLJNH-UHFFFAOYSA-N
XLogP27.15
TPSA396.13 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds31
Heavy Atoms212
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002901.58
LogP ≤ 527.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-bicyclo[2.2.1]heptanyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-chlorophenyl)-[2-[(4-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2,5-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(4-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-methyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-chlorophenyl)-[2-[(4-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2,5-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(4-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-methyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-chlorophenyl)-[2-[(4-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2,5-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(4-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-methyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone (CID 159297410) is 2-bicyclo[2.2.1]heptanyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-chlorophenyl)-[2-[(4-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2,5-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(4-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-methyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-chlorophenyl)-[2-[(4-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2,5-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(4-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-methyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-chlorophenyl)-[2-[(4-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2,5-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(4-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-methyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone is CC(=O)N1CCn2nc(OCc3ccccc3)cc2C1.Cc1cc(F)cc(C(=O)N2CCn3nc(OCc4cccc(F)c4)cc3C2)c1.Cc1ccc(C(=O)N2CCn3nc(OCc4ccccc4)cc3C2)cc1C(F)(F)F.Cc1ccc(C(=O)N2CCn3nc(OCc4ccccc4)cc3C2)cn1.O=C(C1CC2CCC1C2)N1CCn2nc(OCc3ccccc3)cc2C1.O=C(c1cc(F)ccc1F)N1CCn2nc(OCc3cccc(F)c3)cc2C1.O=C(c1cccc(Cl)c1)N1CCn2nc(OCc3ccc(F)cc3)cc2C1.[C-]#[N+]c1ccc(COc2cc3n(n2)CCN(C(=O)c2ccccc2)C3)cc1.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-chlorophenyl)-[2-[(4-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2,5-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(4-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-methyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The InChIKey is LAXBRWIOUFLJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2.C21H19F2N3O2.C21H18N4O2.C21H25N3O2.C20H17ClFN3O2.C20H16F3N3O2.C20H20N4O2.C15H17N3O2/c1-15-7-8-17(11-19(15)22(23,24)25)21(29)27-9-10-28-18(13-27)12-20(26-28)30-14-16-5-3-2-4-6-16;1-14-7-16(10-18(23)8-14)21(27)25-5-6-26-19(12-25)11-20(24-26)28-13-15-3-2-4-17(22)9-15;1-22-18-9-7-16(8-10-18)15-27-20-13-19-14-24(11-12-25(19)23-20)21(26)17-5-3-2-4-6-17;25-21(19-11-16-6-7-17(19)10-16)23-8-9-24-18(13-23)12-20(22-24)26-14-15-4-2-1-3-5-15;21-16-3-1-2-15(10-16)20(26)24-8-9-25-18(12-24)11-19(23-25)27-13-14-4-6-17(22)7-5-14;21-14-3-1-2-13(8-14)12-28-19-10-16-11-25(6-7-26(16)24-19)20(27)17-9-15(22)4-5-18(17)23;1-15-7-8-17(12-21-15)20(25)23-9-10-24-18(13-23)11-19(22-24)26-14-16-5-3-2-4-6-16;1-12(19)17-7-8-18-14(10-17)9-15(16-18)20-11-13-5-3-2-4-6-13/h2-8,11-12H,9-10,13-14H2,1H3;2-4,7-11H,5-6,12-13H2,1H3;2-10,13H,11-12,14-15H2;1-5,12,16-17,19H,6-11,13-14H2;1-7,10-11H,8-9,12-13H2;1-5,8-10H,6-7,11-12H2;2-8,11-12H,9-10,13-14H2,1H3;2-6,9H,7-8,10-11H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-chlorophenyl)-[2-[(4-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2,5-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(4-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-methyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
2-bicyclo[2.2.1]heptanyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-chlorophenyl)-[2-[(4-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2,5-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(4-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-methyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone has a molecular weight of 2901.58 g/mol, XLogP of 27.15, 31 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-chlorophenyl)-[2-[(4-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2,5-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(4-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-methyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone is sourced from PubChem (CID 159297410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).