(9S)-N-(1-ethylindazol-4-yl)-5-(3-methylphenyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-(2-methylquinoxalin-5-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide

C123H114F3N27O6 — CID 161033297

About (9S)-N-(1-ethylindazol-4-yl)-5-(3-methylphenyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-(2-methylquinoxalin-5-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide

(9S)-N-(1-ethylindazol-4-yl)-5-(3-methylphenyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-(2-methylquinoxalin-5-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide (PubChem CID 161033297) has the molecular formula C123H114F3N27O6 and a molecular weight of 2123.44 g/mol. Its IUPAC name is (9S)-N-(1-ethylindazol-4-yl)-5-(3-methylphenyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-(2-methylquinoxalin-5-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide.

Molecular Properties

• Compound Name: (9S)-N-(1-ethylindazol-4-yl)-5-(3-methylphenyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-(2-methylquinoxalin-5-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide
• PubChem CID: 161033297
• Molecular Formula: C123H114F3N27O6
• Molecular Weight: 2123.44 g/mol
• Exact Mass: 2121.94
• IUPAC Name: (9S)-N-(1-ethylindazol-4-yl)-5-(3-methylphenyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-(2-methylquinoxalin-5-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide
• SMILES: CCn1ncc2c(NC(=O)N3c4nc(-c5cccc(C)c5)ccc4N4CC[C@H]3C4)cccc21.Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4cnco4)c2)[C@H]2CCN3C2)c1.Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc4nc(C)cnc24)[C@H]2CCN3C2)c1.Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H]2CCN3C2)c1.O=C(Nc1cccnc1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC[C@H]1C2
• InChI: InChI=1S/C26H24N6O.C26H26N6O.C26H23N5O2.C23H20F3N5O.C22H21N5O/c1-16-5-3-6-18(13-16)20-9-10-23-25(29-20)32(19-11-12-31(23)15-19)26(33)30-22-8-4-7-21-24(22)27-14-17(2)28-21;1-3-31-23-9-5-8-22(20(23)15-27-31)29-26(33)32-19-12-13-30(16-19)24-11-10-21(28-25(24)32)18-7-4-6-17(2)14-18;1-17-4-2-5-18(12-17)22-8-9-23-25(29-22)31(21-10-11-30(23)15-21)26(32)28-20-7-3-6-19(13-20)24-14-27-16-33-24;24-23(25,26)16-5-1-4-15(12-16)19-8-9-20-21(29-19)31(18-7-3-11-30(20)14-18)22(32)28-17-6-2-10-27-13-17;1-15-5-4-6-16(13-15)18-8-9-19-21(24-18)27(17-10-12-26(19)14-17)22(28)25-20-7-2-3-11-23-20/h3-10,13-14,19H,11-12,15H2,1-2H3,(H,30,33);4-11,14-15,19H,3,12-13,16H2,1-2H3,(H,29,33);2-9,12-14,16,21H,10-11,15H2,1H3,(H,28,32);1-2,4-6,8-10,12-13,18H,3,7,11,14H2,(H,28,32);2-9,11,13,17H,10,12,14H2,1H3,(H,23,25,28)/t2*19-;21-;18-;17-/m00000/s1
• InChIKey: TZXLBHOGGLYMTI-YKFSFEORSA-N
• XLogP: 24.61
• TPSA: 337.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2123.44
LogP ≤ 5	24.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (9S)-N-(1-ethylindazol-4-yl)-5-(3-methylphenyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-(2-methylquinoxalin-5-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide?

The IUPAC name of (9S)-N-(1-ethylindazol-4-yl)-5-(3-methylphenyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-(2-methylquinoxalin-5-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide (CID 161033297) is (9S)-N-(1-ethylindazol-4-yl)-5-(3-methylphenyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-(2-methylquinoxalin-5-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide.

What is the SMILES notation for (9S)-N-(1-ethylindazol-4-yl)-5-(3-methylphenyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-(2-methylquinoxalin-5-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide?

The canonical SMILES for (9S)-N-(1-ethylindazol-4-yl)-5-(3-methylphenyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-(2-methylquinoxalin-5-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide is CCn1ncc2c(NC(=O)N3c4nc(-c5cccc(C)c5)ccc4N4CC[C@H]3C4)cccc21.Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4cnco4)c2)[C@H]2CCN3C2)c1.Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc4nc(C)cnc24)[C@H]2CCN3C2)c1.Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H]2CCN3C2)c1.O=C(Nc1cccnc1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC[C@H]1C2.

What is the InChIKey of (9S)-N-(1-ethylindazol-4-yl)-5-(3-methylphenyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-(2-methylquinoxalin-5-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide?

The InChIKey is TZXLBHOGGLYMTI-YKFSFEORSA-N. The full InChI is InChI=1S/C26H24N6O.C26H26N6O.C26H23N5O2.C23H20F3N5O.C22H21N5O/c1-16-5-3-6-18(13-16)20-9-10-23-25(29-20)32(19-11-12-31(23)15-19)26(33)30-22-8-4-7-21-24(22)27-14-17(2)28-21;1-3-31-23-9-5-8-22(20(23)15-27-31)29-26(33)32-19-12-13-30(16-19)24-11-10-21(28-25(24)32)18-7-4-6-17(2)14-18;1-17-4-2-5-18(12-17)22-8-9-23-25(29-22)31(21-10-11-30(23)15-21)26(32)28-20-7-3-6-19(13-20)24-14-27-16-33-24;24-23(25,26)16-5-1-4-15(12-16)19-8-9-20-21(29-19)31(18-7-3-11-30(20)14-18)22(32)28-17-6-2-10-27-13-17;1-15-5-4-6-16(13-15)18-8-9-19-21(24-18)27(17-10-12-26(19)14-17)22(28)25-20-7-2-3-11-23-20/h3-10,13-14,19H,11-12,15H2,1-2H3,(H,30,33);4-11,14-15,19H,3,12-13,16H2,1-2H3,(H,29,33);2-9,12-14,16,21H,10-11,15H2,1H3,(H,28,32);1-2,4-6,8-10,12-13,18H,3,7,11,14H2,(H,28,32);2-9,11,13,17H,10,12,14H2,1H3,(H,23,25,28)/t2*19-;21-;18-;17-/m00000/s1.

What are the key properties of (9S)-N-(1-ethylindazol-4-yl)-5-(3-methylphenyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-(2-methylquinoxalin-5-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide?

(9S)-N-(1-ethylindazol-4-yl)-5-(3-methylphenyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-(2-methylquinoxalin-5-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide has a molecular weight of 2123.44 g/mol, XLogP of 24.61, 12 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (9S)-N-(1-ethylindazol-4-yl)-5-(3-methylphenyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-(2-methylquinoxalin-5-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide is sourced from PubChem (CID 161033297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).