[2-fluoro-6-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone

C82H86F2N28O5 — CID 158973262

IUPAC[2-fluoro-6-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CC3CC(Nc4cnc(C)cn4)C2C3)c(-n2nccn2)c1.Cc1cnc(NC2CC3CC2N(C(=O)c2c(F)cccc2-n2nccn2)C3)cn1.Cc1cnc(NC2CC3CC2N(C(=O)c2cc(F)ccc2-n2nccn2)C3)cn1.Cc1cnc(NC2CC3CC2N(C(=O)c2cccc(C)c2-n2nccn2)C3)cn1
InChIInChI=1S/C21H23N7O2.C21H23N7O.2C20H20FN7O/c1-13-10-23-20(11-22-13)26-17-7-14-8-19(17)27(12-14)21(29)16-4-3-15(30-2)9-18(16)28-24-5-6-25-28;1-13-4-3-5-16(20(13)28-24-6-7-25-28)21(29)27-12-15-8-17(18(27)9-15)26-19-11-22-14(2)10-23-19;1-12-9-23-19(10-22-12)26-16-6-13-7-18(16)27(11-13)20(29)15-8-14(21)2-3-17(15)28-24-4-5-25-28;1-12-9-23-18(10-22-12)26-15-7-13-8-17(15)27(11-13)20(29)19-14(21)3-2-4-16(19)28-24-5-6-25-28/h3-6,9-11,14,17,19H,7-8,12H2,1-2H3,(H,23,26);3-7,10-11,15,17-18H,8-9,12H2,1-2H3,(H,23,26);2-5,8-10,13,16,18H,6-7,11H2,1H3,(H,23,26);2-6,9-10,13,15,17H,7-8,11H2,1H3,(H,23,26)
InChIKeyJOBQYUUOJYNIGX-UHFFFAOYSA-N
MW1581.78 g/mol
LogP8.92
Rot. Bonds17

About [2-fluoro-6-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone

[2-fluoro-6-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 158973262) has the molecular formula C82H86F2N28O5 and a molecular weight of 1581.78 g/mol. Its IUPAC name is [2-fluoro-6-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-fluoro-6-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID158973262
Molecular FormulaC82H86F2N28O5
Molecular Weight1581.78 g/mol
Exact Mass1580.73
IUPAC Name[2-fluoro-6-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CC3CC(Nc4cnc(C)cn4)C2C3)c(-n2nccn2)c1.Cc1cnc(NC2CC3CC2N(C(=O)c2c(F)cccc2-n2nccn2)C3)cn1.Cc1cnc(NC2CC3CC2N(C(=O)c2cc(F)ccc2-n2nccn2)C3)cn1.Cc1cnc(NC2CC3CC2N(C(=O)c2cccc(C)c2-n2nccn2)C3)cn1
InChIInChI=1S/C21H23N7O2.C21H23N7O.2C20H20FN7O/c1-13-10-23-20(11-22-13)26-17-7-14-8-19(17)27(12-14)21(29)16-4-3-15(30-2)9-18(16)28-24-5-6-25-28;1-13-4-3-5-16(20(13)28-24-6-7-25-28)21(29)27-12-15-8-17(18(27)9-15)26-19-11-22-14(2)10-23-19;1-12-9-23-19(10-22-12)26-16-6-13-7-18(16)27(11-13)20(29)15-8-14(21)2-3-17(15)28-24-4-5-25-28;1-12-9-23-18(10-22-12)26-15-7-13-8-17(15)27(11-13)20(29)19-14(21)3-2-4-16(19)28-24-5-6-25-28/h3-6,9-11,14,17,19H,7-8,12H2,1-2H3,(H,23,26);3-7,10-11,15,17-18H,8-9,12H2,1-2H3,(H,23,26);2-5,8-10,13,16,18H,6-7,11H2,1H3,(H,23,26);2-6,9-10,13,15,17H,7-8,11H2,1H3,(H,23,26)
InChIKeyJOBQYUUOJYNIGX-UHFFFAOYSA-N
XLogP8.92
TPSA364.55 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds17
Heavy Atoms117
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001581.78
LogP ≤ 58.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Analyze [2-fluoro-6-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [2-fluoro-6-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone (CID 158973262) is [2-fluoro-6-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-fluoro-6-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-fluoro-6-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone is COc1ccc(C(=O)N2CC3CC(Nc4cnc(C)cn4)C2C3)c(-n2nccn2)c1.Cc1cnc(NC2CC3CC2N(C(=O)c2c(F)cccc2-n2nccn2)C3)cn1.Cc1cnc(NC2CC3CC2N(C(=O)c2cc(F)ccc2-n2nccn2)C3)cn1.Cc1cnc(NC2CC3CC2N(C(=O)c2cccc(C)c2-n2nccn2)C3)cn1.
What is the InChIKey of [2-fluoro-6-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is JOBQYUUOJYNIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2.C21H23N7O.2C20H20FN7O/c1-13-10-23-20(11-22-13)26-17-7-14-8-19(17)27(12-14)21(29)16-4-3-15(30-2)9-18(16)28-24-5-6-25-28;1-13-4-3-5-16(20(13)28-24-6-7-25-28)21(29)27-12-15-8-17(18(27)9-15)26-19-11-22-14(2)10-23-19;1-12-9-23-19(10-22-12)26-16-6-13-7-18(16)27(11-13)20(29)15-8-14(21)2-3-17(15)28-24-4-5-25-28;1-12-9-23-18(10-22-12)26-15-7-13-8-17(15)27(11-13)20(29)19-14(21)3-2-4-16(19)28-24-5-6-25-28/h3-6,9-11,14,17,19H,7-8,12H2,1-2H3,(H,23,26);3-7,10-11,15,17-18H,8-9,12H2,1-2H3,(H,23,26);2-5,8-10,13,16,18H,6-7,11H2,1H3,(H,23,26);2-6,9-10,13,15,17H,7-8,11H2,1H3,(H,23,26).
What are the key properties of [2-fluoro-6-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone?
[2-fluoro-6-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 1581.78 g/mol, XLogP of 8.92, 17 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 158973262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).