Bis(2,6-difluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]propanamide
C125H133F10N17O6 — CID 158053892
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACbis(2,6-difluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]propanamide
SMILESCC1=C(c2cnc(NC(=O)C(C)C)cn2)CC2CCCC2C1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CC2CCCC2C1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CC2CCCC2C1.CC1=C(c2cnc(NC(=O)c3ccccc3C)cn2)CC2CCCC2C1.CC1=C(c2cnc(NC(=O)c3ccccc3F)cn2)CC2CCCC2C1.O=C(Nc1ccc(C2=C(C(F)(F)F)CC3CCCC3C2)cn1)c1c(F)cccc1F
InChIInChI=1S/C22H19F5N2O.C22H25N3O.2C21H21F2N3O.C21H22FN3O.C18H25N3O/c23-17-5-2-6-18(24)20(17)21(30)29-19-8-7-14(11-28-19)15-9-12-3-1-4-13(12)10-16(15)22(25,26)27;1-14-6-3-4-9-18(14)22(26)25-21-13-23-20(12-24-21)19-11-17-8-5-7-16(17)10-15(19)2;2*1-12-8-13-4-2-5-14(13)9-15(12)18-10-25-19(11-24-18)26-21(27)20-16(22)6-3-7-17(20)23;1-13-9-14-5-4-6-15(14)10-17(13)19-11-24-20(12-23-19)25-21(26)16-7-2-3-8-18(16)22;1-11(2)18(22)21-17-10-19-16(9-20-17)15-8-14-6-4-5-13(14)7-12(15)3/h2,5-8,11-13H,1,3-4,9-10H2,(H,28,29,30);3-4,6,9,12-13,16-17H,5,7-8,10-11H2,1-2H3,(H,24,25,26);2*3,6-7,10-11,13-14H,2,4-5,8-9H2,1H3,(H,25,26,27);2-3,7-8,11-12,14-15H,4-6,9-10H2,1H3,(H,24,25,26);9-11,13-14H,4-8H2,1-3H3,(H,20,21,22)
InChIKeyFJUPDIZPGFBFJF-UHFFFAOYSA-N
MW2159.53 g/mol
LogP30.05
Rot. Bonds18
About Bis(2,6-difluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]propanamide
Bis(2,6-difluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]propanamide (PubChem CID 158053892) has the molecular formula C125H133F10N17O6 and a molecular weight of 2159.53 g/mol. Its IUPAC name is bis(2,6-difluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]propanamide.
Molecular Properties
| Compound Name | Bis(2,6-difluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]propanamide |
|---|---|
| PubChem CID | 158053892 |
| Molecular Formula | C125H133F10N17O6 |
| Molecular Weight | 2159.53 g/mol |
| Exact Mass | 2158.05 |
| IUPAC Name | bis(2,6-difluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]propanamide |
| SMILES | CC1=C(c2cnc(NC(=O)C(C)C)cn2)CC2CCCC2C1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CC2CCCC2C1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CC2CCCC2C1.CC1=C(c2cnc(NC(=O)c3ccccc3C)cn2)CC2CCCC2C1.CC1=C(c2cnc(NC(=O)c3ccccc3F)cn2)CC2CCCC2C1.O=C(Nc1ccc(C2=C(C(F)(F)F)CC3CCCC3C2)cn1)c1c(F)cccc1F |
| InChI | InChI=1S/C22H19F5N2O.C22H25N3O.2C21H21F2N3O.C21H22FN3O.C18H25N3O/c23-17-5-2-6-18(24)20(17)21(30)29-19-8-7-14(11-28-19)15-9-12-3-1-4-13(12)10-16(15)22(25,26)27;1-14-6-3-4-9-18(14)22(26)25-21-13-23-20(12-24-21)19-11-17-8-5-7-16(17)10-15(19)2;2*1-12-8-13-4-2-5-14(13)9-15(12)18-10-25-19(11-24-18)26-21(27)20-16(22)6-3-7-17(20)23;1-13-9-14-5-4-6-15(14)10-17(13)19-11-24-20(12-23-19)25-21(26)16-7-2-3-8-18(16)22;1-11(2)18(22)21-17-10-19-16(9-20-17)15-8-14-6-4-5-13(14)7-12(15)3/h2,5-8,11-13H,1,3-4,9-10H2,(H,28,29,30);3-4,6,9,12-13,16-17H,5,7-8,10-11H2,1-2H3,(H,24,25,26);2*3,6-7,10-11,13-14H,2,4-5,8-9H2,1H3,(H,25,26,27);2-3,7-8,11-12,14-15H,4-6,9-10H2,1H3,(H,24,25,26);9-11,13-14H,4-8H2,1-3H3,(H,20,21,22) |
| InChIKey | FJUPDIZPGFBFJF-UHFFFAOYSA-N |
| XLogP | 30.05 |
| TPSA | 316.39 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 158 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2159.53 |
| LogP ≤ 5 | 30.05 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 17 |
Frequently Asked Questions
What is the IUPAC name of Bis(2,6-difluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]propanamide?
The IUPAC name of Bis(2,6-difluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]propanamide (CID 158053892) is bis(2,6-difluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]propanamide.
What is the SMILES notation for Bis(2,6-difluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]propanamide?
The canonical SMILES for Bis(2,6-difluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]propanamide is CC1=C(c2cnc(NC(=O)C(C)C)cn2)CC2CCCC2C1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CC2CCCC2C1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CC2CCCC2C1.CC1=C(c2cnc(NC(=O)c3ccccc3C)cn2)CC2CCCC2C1.CC1=C(c2cnc(NC(=O)c3ccccc3F)cn2)CC2CCCC2C1.O=C(Nc1ccc(C2=C(C(F)(F)F)CC3CCCC3C2)cn1)c1c(F)cccc1F.
What is the InChIKey of Bis(2,6-difluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]propanamide?
The InChIKey is FJUPDIZPGFBFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F5N2O.C22H25N3O.2C21H21F2N3O.C21H22FN3O.C18H25N3O/c23-17-5-2-6-18(24)20(17)21(30)29-19-8-7-14(11-28-19)15-9-12-3-1-4-13(12)10-16(15)22(25,26)27;1-14-6-3-4-9-18(14)22(26)25-21-13-23-20(12-24-21)19-11-17-8-5-7-16(17)10-15(19)2;2*1-12-8-13-4-2-5-14(13)9-15(12)18-10-25-19(11-24-18)26-21(27)20-16(22)6-3-7-17(20)23;1-13-9-14-5-4-6-15(14)10-17(13)19-11-24-20(12-23-19)25-21(26)16-7-2-3-8-18(16)22;1-11(2)18(22)21-17-10-19-16(9-20-17)15-8-14-6-4-5-13(14)7-12(15)3/h2,5-8,11-13H,1,3-4,9-10H2,(H,28,29,30);3-4,6,9,12-13,16-17H,5,7-8,10-11H2,1-2H3,(H,24,25,26);2*3,6-7,10-11,13-14H,2,4-5,8-9H2,1H3,(H,25,26,27);2-3,7-8,11-12,14-15H,4-6,9-10H2,1H3,(H,24,25,26);9-11,13-14H,4-8H2,1-3H3,(H,20,21,22).
What are the key properties of Bis(2,6-difluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]propanamide?
Bis(2,6-difluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]propanamide has a molecular weight of 2159.53 g/mol, XLogP of 30.05, 18 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(2,6-difluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide);2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-methyl-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)pyrazin-2-yl]propanamide is sourced from PubChem (CID 158053892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158053892 — identifiers, structure, computed properties (public domain)
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