(4aS,7aS)-6-(2-fluorophenyl)-2-[(2-oxo-1H-pyrazin-3-yl)methyl]-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-5-one;3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one;3-[[4-[(2-fluorophenyl)methylsulfanyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorothiophen-3-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid

C133H157F5N22O18S2 — CID 162154369

IUPAC(4aS,7aS)-6-(2-fluorophenyl)-2-[(2-oxo-1H-pyrazin-3-yl)methyl]-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-5-one;3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one;3-[[4-[(2-fluorophenyl)methylsulfanyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorothiophen-3-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid
SMILESCC1(COc2ccccc2F)CCN(Cc2ncc[nH]c2=O)CC1.O=C(Cc1cccc2c1OCC2)C1CCN(Cc2ncc[nH]c2=O)CC1.O=C(Cc1ccccc1F)C1CCN(Cc2n[nH]c(=O)[nH]2)CC1.O=C(Cc1ccsc1F)C1CCN(Cc2ncc[nH]c2=O)CC1.O=C(O)C(=O)O.O=C1C(c2ccccc2F)C[C@@H]2CN(Cc3ncc[nH]c3=O)CC[C@H]12.O=c1[nH]ccnc1CN1CCC(/C=C/c2ccccc2OCC2CCCCC2)CC1.O=c1[nH]ccnc1CN1CCC(SCc2ccccc2F)CC1
InChIInChI=1S/C25H33N3O2.C20H23N3O3.C19H20FN3O2.C18H22FN3O2.C17H20FN3OS.C16H19FN4O2.C16H18FN3O2S.C2H2O4/c29-25-23(26-14-15-27-25)18-28-16-12-20(13-17-28)10-11-22-8-4-5-9-24(22)30-19-21-6-2-1-3-7-21;24-18(12-16-3-1-2-15-6-11-26-19(15)16)14-4-9-23(10-5-14)13-17-20(25)22-8-7-21-17;20-16-4-2-1-3-14(16)15-9-12-10-23(8-5-13(12)18(15)24)11-17-19(25)22-7-6-21-17;1-18(13-24-16-5-3-2-4-14(16)19)6-10-22(11-7-18)12-15-17(23)21-9-8-20-15;18-15-4-2-1-3-13(15)12-23-14-5-9-21(10-6-14)11-16-17(22)20-8-7-19-16;17-13-4-2-1-3-12(13)9-14(22)11-5-7-21(8-6-11)10-15-18-16(23)20-19-15;17-15-12(3-8-23-15)9-14(21)11-1-6-20(7-2-11)10-13-16(22)19-5-4-18-13;3-1(4)2(5)6/h4-5,8-11,14-15,20-21H,1-3,6-7,12-13,16-19H2,(H,27,29);1-3,7-8,14H,4-6,9-13H2,(H,22,25);1-4,6-7,12-13,15H,5,8-11H2,(H,22,25);2-5,8-9H,6-7,10-13H2,1H3,(H,21,23);1-4,7-8,14H,5-6,9-12H2,(H,20,22);1-4,11H,5-10H2,(H2,18,19,20,23);3-5,8,11H,1-2,6-7,9-10H2,(H,19,22);(H,3,4)(H,5,6)/b11-10+;;;;;;;/t;;12-,13+,15?;;;;;/m..1...../s1
InChIKeyATHPPJQRTHFABF-PDBFMUQCSA-N
MW2510.98 g/mol
LogP16.29
Rot. Bonds35

About (4aS,7aS)-6-(2-fluorophenyl)-2-[(2-oxo-1H-pyrazin-3-yl)methyl]-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-5-one;3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one;3-[[4-[(2-fluorophenyl)methylsulfanyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorothiophen-3-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid

(4aS,7aS)-6-(2-fluorophenyl)-2-[(2-oxo-1H-pyrazin-3-yl)methyl]-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-5-one;3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one;3-[[4-[(2-fluorophenyl)methylsulfanyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorothiophen-3-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid (PubChem CID 162154369) has the molecular formula C133H157F5N22O18S2 and a molecular weight of 2510.98 g/mol. Its IUPAC name is (4aS,7aS)-6-(2-fluorophenyl)-2-[(2-oxo-1H-pyrazin-3-yl)methyl]-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-5-one;3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one;3-[[4-[(2-fluorophenyl)methylsulfanyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorothiophen-3-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid.

Molecular Properties

Compound Name(4aS,7aS)-6-(2-fluorophenyl)-2-[(2-oxo-1H-pyrazin-3-yl)methyl]-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-5-one;3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one;3-[[4-[(2-fluorophenyl)methylsulfanyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorothiophen-3-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid
PubChem CID162154369
Molecular FormulaC133H157F5N22O18S2
Molecular Weight2510.98 g/mol
Exact Mass2509.14
IUPAC Name(4aS,7aS)-6-(2-fluorophenyl)-2-[(2-oxo-1H-pyrazin-3-yl)methyl]-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-5-one;3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one;3-[[4-[(2-fluorophenyl)methylsulfanyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorothiophen-3-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid
SMILESCC1(COc2ccccc2F)CCN(Cc2ncc[nH]c2=O)CC1.O=C(Cc1cccc2c1OCC2)C1CCN(Cc2ncc[nH]c2=O)CC1.O=C(Cc1ccccc1F)C1CCN(Cc2n[nH]c(=O)[nH]2)CC1.O=C(Cc1ccsc1F)C1CCN(Cc2ncc[nH]c2=O)CC1.O=C(O)C(=O)O.O=C1C(c2ccccc2F)C[C@@H]2CN(Cc3ncc[nH]c3=O)CC[C@H]12.O=c1[nH]ccnc1CN1CCC(/C=C/c2ccccc2OCC2CCCCC2)CC1.O=c1[nH]ccnc1CN1CCC(SCc2ccccc2F)CC1
InChIInChI=1S/C25H33N3O2.C20H23N3O3.C19H20FN3O2.C18H22FN3O2.C17H20FN3OS.C16H19FN4O2.C16H18FN3O2S.C2H2O4/c29-25-23(26-14-15-27-25)18-28-16-12-20(13-17-28)10-11-22-8-4-5-9-24(22)30-19-21-6-2-1-3-7-21;24-18(12-16-3-1-2-15-6-11-26-19(15)16)14-4-9-23(10-5-14)13-17-20(25)22-8-7-21-17;20-16-4-2-1-3-14(16)15-9-12-10-23(8-5-13(12)18(15)24)11-17-19(25)22-7-6-21-17;1-18(13-24-16-5-3-2-4-14(16)19)6-10-22(11-7-18)12-15-17(23)21-9-8-20-15;18-15-4-2-1-3-13(15)12-23-14-5-9-21(10-6-14)11-16-17(22)20-8-7-19-16;17-13-4-2-1-3-12(13)9-14(22)11-5-7-21(8-6-11)10-15-18-16(23)20-19-15;17-15-12(3-8-23-15)9-14(21)11-1-6-20(7-2-11)10-13-16(22)19-5-4-18-13;3-1(4)2(5)6/h4-5,8-11,14-15,20-21H,1-3,6-7,12-13,16-19H2,(H,27,29);1-3,7-8,14H,4-6,9-13H2,(H,22,25);1-4,6-7,12-13,15H,5,8-11H2,(H,22,25);2-5,8-9H,6-7,10-13H2,1H3,(H,21,23);1-4,7-8,14H,5-6,9-12H2,(H,20,22);1-4,11H,5-10H2,(H2,18,19,20,23);3-5,8,11H,1-2,6-7,9-10H2,(H,19,22);(H,3,4)(H,5,6)/b11-10+;;;;;;;/t;;12-,13+,15?;;;;;/m..1...../s1
InChIKeyATHPPJQRTHFABF-PDBFMUQCSA-N
XLogP16.29
TPSA529.29 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds35
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002510.98
LogP ≤ 516.29
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze (4aS,7aS)-6-(2-fluorophenyl)-2-[(2-oxo-1H-pyrazin-3-yl)methyl]-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-5-one;3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one;3-[[4-[(2-fluorophenyl)methylsulfanyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorothiophen-3-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,7aS)-6-(2-fluorophenyl)-2-[(2-oxo-1H-pyrazin-3-yl)methyl]-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-5-one;3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one;3-[[4-[(2-fluorophenyl)methylsulfanyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorothiophen-3-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid?
The IUPAC name of (4aS,7aS)-6-(2-fluorophenyl)-2-[(2-oxo-1H-pyrazin-3-yl)methyl]-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-5-one;3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one;3-[[4-[(2-fluorophenyl)methylsulfanyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorothiophen-3-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid (CID 162154369) is (4aS,7aS)-6-(2-fluorophenyl)-2-[(2-oxo-1H-pyrazin-3-yl)methyl]-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-5-one;3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one;3-[[4-[(2-fluorophenyl)methylsulfanyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorothiophen-3-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid.
What is the SMILES notation for (4aS,7aS)-6-(2-fluorophenyl)-2-[(2-oxo-1H-pyrazin-3-yl)methyl]-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-5-one;3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one;3-[[4-[(2-fluorophenyl)methylsulfanyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorothiophen-3-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid?
The canonical SMILES for (4aS,7aS)-6-(2-fluorophenyl)-2-[(2-oxo-1H-pyrazin-3-yl)methyl]-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-5-one;3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one;3-[[4-[(2-fluorophenyl)methylsulfanyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorothiophen-3-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid is CC1(COc2ccccc2F)CCN(Cc2ncc[nH]c2=O)CC1.O=C(Cc1cccc2c1OCC2)C1CCN(Cc2ncc[nH]c2=O)CC1.O=C(Cc1ccccc1F)C1CCN(Cc2n[nH]c(=O)[nH]2)CC1.O=C(Cc1ccsc1F)C1CCN(Cc2ncc[nH]c2=O)CC1.O=C(O)C(=O)O.O=C1C(c2ccccc2F)C[C@@H]2CN(Cc3ncc[nH]c3=O)CC[C@H]12.O=c1[nH]ccnc1CN1CCC(/C=C/c2ccccc2OCC2CCCCC2)CC1.O=c1[nH]ccnc1CN1CCC(SCc2ccccc2F)CC1.
What is the InChIKey of (4aS,7aS)-6-(2-fluorophenyl)-2-[(2-oxo-1H-pyrazin-3-yl)methyl]-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-5-one;3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one;3-[[4-[(2-fluorophenyl)methylsulfanyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorothiophen-3-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid?
The InChIKey is ATHPPJQRTHFABF-PDBFMUQCSA-N. The full InChI is InChI=1S/C25H33N3O2.C20H23N3O3.C19H20FN3O2.C18H22FN3O2.C17H20FN3OS.C16H19FN4O2.C16H18FN3O2S.C2H2O4/c29-25-23(26-14-15-27-25)18-28-16-12-20(13-17-28)10-11-22-8-4-5-9-24(22)30-19-21-6-2-1-3-7-21;24-18(12-16-3-1-2-15-6-11-26-19(15)16)14-4-9-23(10-5-14)13-17-20(25)22-8-7-21-17;20-16-4-2-1-3-14(16)15-9-12-10-23(8-5-13(12)18(15)24)11-17-19(25)22-7-6-21-17;1-18(13-24-16-5-3-2-4-14(16)19)6-10-22(11-7-18)12-15-17(23)21-9-8-20-15;18-15-4-2-1-3-13(15)12-23-14-5-9-21(10-6-14)11-16-17(22)20-8-7-19-16;17-13-4-2-1-3-12(13)9-14(22)11-5-7-21(8-6-11)10-15-18-16(23)20-19-15;17-15-12(3-8-23-15)9-14(21)11-1-6-20(7-2-11)10-13-16(22)19-5-4-18-13;3-1(4)2(5)6/h4-5,8-11,14-15,20-21H,1-3,6-7,12-13,16-19H2,(H,27,29);1-3,7-8,14H,4-6,9-13H2,(H,22,25);1-4,6-7,12-13,15H,5,8-11H2,(H,22,25);2-5,8-9H,6-7,10-13H2,1H3,(H,21,23);1-4,7-8,14H,5-6,9-12H2,(H,20,22);1-4,11H,5-10H2,(H2,18,19,20,23);3-5,8,11H,1-2,6-7,9-10H2,(H,19,22);(H,3,4)(H,5,6)/b11-10+;;;;;;;/t;;12-,13+,15?;;;;;/m..1...../s1.
What are the key properties of (4aS,7aS)-6-(2-fluorophenyl)-2-[(2-oxo-1H-pyrazin-3-yl)methyl]-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-5-one;3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one;3-[[4-[(2-fluorophenyl)methylsulfanyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorothiophen-3-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid?
(4aS,7aS)-6-(2-fluorophenyl)-2-[(2-oxo-1H-pyrazin-3-yl)methyl]-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-5-one;3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one;3-[[4-[(2-fluorophenyl)methylsulfanyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorothiophen-3-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid has a molecular weight of 2510.98 g/mol, XLogP of 16.29, 35 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aS)-6-(2-fluorophenyl)-2-[(2-oxo-1H-pyrazin-3-yl)methyl]-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-5-one;3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one;3-[[4-[(2-fluorophenyl)methylsulfanyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorothiophen-3-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid is sourced from PubChem (CID 162154369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).