(9S)-5-(2-cyclopropylmorpholin-4-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(2,2-dimethylpropyl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(6-methylpyrazin-2-yl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide

C86H93F3N26O5 — CID 159615370

About (9S)-5-(2-cyclopropylmorpholin-4-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(2,2-dimethylpropyl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(6-methylpyrazin-2-yl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide

(9S)-5-(2-cyclopropylmorpholin-4-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(2,2-dimethylpropyl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(6-methylpyrazin-2-yl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide (PubChem CID 159615370) has the molecular formula C86H93F3N26O5 and a molecular weight of 1627.86 g/mol. Its IUPAC name is (9S)-5-(2-cyclopropylmorpholin-4-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(2,2-dimethylpropyl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(6-methylpyrazin-2-yl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide.

Molecular Properties

• Compound Name: (9S)-5-(2-cyclopropylmorpholin-4-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(2,2-dimethylpropyl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(6-methylpyrazin-2-yl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
• PubChem CID: 159615370
• Molecular Formula: C86H93F3N26O5
• Molecular Weight: 1627.86 g/mol
• Exact Mass: 1626.78
• IUPAC Name: (9S)-5-(2-cyclopropylmorpholin-4-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(2,2-dimethylpropyl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(6-methylpyrazin-2-yl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
• SMILES: Cc1ccc(-c2ccc3c(n2)N(C(=O)NCC(C)(C)C)[C@H]2CCN3C2)cn1.Cc1ccc(-c2ccc3c(n2)N(C(=O)Nc2cncc(C)n2)[C@H]2CCN3C2)cn1.O=C(Nc1cnccn1)N1c2nc(-c3cnc(C4CC4)c(C(F)(F)F)c3)ccc2N2CC[C@H]1C2.O=C(Nc1cnccn1)N1c2nc(N3CCOC(C4CC4)C3)ccc2N2CC[C@H]1C2
• InChI: InChI=1S/C23H20F3N7O.C21H25N7O2.C21H21N7O.C21H27N5O/c24-23(25,26)16-9-14(10-29-20(16)13-1-2-13)17-3-4-18-21(30-17)33(15-5-8-32(18)12-15)22(34)31-19-11-27-6-7-28-19;29-21(24-18-11-22-6-7-23-18)28-15-5-8-26(12-15)16-3-4-19(25-20(16)28)27-9-10-30-17(13-27)14-1-2-14;1-13-3-4-15(10-23-13)17-5-6-18-20(25-17)28(16-7-8-27(18)12-16)21(29)26-19-11-22-9-14(2)24-19;1-14-5-6-15(11-22-14)17-7-8-18-19(24-17)26(16-9-10-25(18)12-16)20(27)23-13-21(2,3)4/h3-4,6-7,9-11,13,15H,1-2,5,8,12H2,(H,28,31,34);3-4,6-7,11,14-15,17H,1-2,5,8-10,12-13H2,(H,23,24,29);3-6,9-11,16H,7-8,12H2,1-2H3,(H,24,26,29);5-8,11,16H,9-10,12-13H2,1-4H3,(H,23,27)/t15-;15-,17?;2*16-/m0000/s1
• InChIKey: MNFIBFAIGPFWEM-LHICTGOMSA-N
• XLogP: 13.37
• TPSA: 322.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1627.86
LogP ≤ 5	13.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (9S)-5-(2-cyclopropylmorpholin-4-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(2,2-dimethylpropyl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(6-methylpyrazin-2-yl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?

The IUPAC name of (9S)-5-(2-cyclopropylmorpholin-4-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(2,2-dimethylpropyl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(6-methylpyrazin-2-yl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide (CID 159615370) is (9S)-5-(2-cyclopropylmorpholin-4-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(2,2-dimethylpropyl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(6-methylpyrazin-2-yl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide.

What is the SMILES notation for (9S)-5-(2-cyclopropylmorpholin-4-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(2,2-dimethylpropyl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(6-methylpyrazin-2-yl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?

The canonical SMILES for (9S)-5-(2-cyclopropylmorpholin-4-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(2,2-dimethylpropyl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(6-methylpyrazin-2-yl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide is Cc1ccc(-c2ccc3c(n2)N(C(=O)NCC(C)(C)C)[C@H]2CCN3C2)cn1.Cc1ccc(-c2ccc3c(n2)N(C(=O)Nc2cncc(C)n2)[C@H]2CCN3C2)cn1.O=C(Nc1cnccn1)N1c2nc(-c3cnc(C4CC4)c(C(F)(F)F)c3)ccc2N2CC[C@H]1C2.O=C(Nc1cnccn1)N1c2nc(N3CCOC(C4CC4)C3)ccc2N2CC[C@H]1C2.

What is the InChIKey of (9S)-5-(2-cyclopropylmorpholin-4-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(2,2-dimethylpropyl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(6-methylpyrazin-2-yl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?

The InChIKey is MNFIBFAIGPFWEM-LHICTGOMSA-N. The full InChI is InChI=1S/C23H20F3N7O.C21H25N7O2.C21H21N7O.C21H27N5O/c24-23(25,26)16-9-14(10-29-20(16)13-1-2-13)17-3-4-18-21(30-17)33(15-5-8-32(18)12-15)22(34)31-19-11-27-6-7-28-19;29-21(24-18-11-22-6-7-23-18)28-15-5-8-26(12-15)16-3-4-19(25-20(16)28)27-9-10-30-17(13-27)14-1-2-14;1-13-3-4-15(10-23-13)17-5-6-18-20(25-17)28(16-7-8-27(18)12-16)21(29)26-19-11-22-9-14(2)24-19;1-14-5-6-15(11-22-14)17-7-8-18-19(24-17)26(16-9-10-25(18)12-16)20(27)23-13-21(2,3)4/h3-4,6-7,9-11,13,15H,1-2,5,8,12H2,(H,28,31,34);3-4,6-7,11,14-15,17H,1-2,5,8-10,12-13H2,(H,23,24,29);3-6,9-11,16H,7-8,12H2,1-2H3,(H,24,26,29);5-8,11,16H,9-10,12-13H2,1-4H3,(H,23,27)/t15-;15-,17?;2*16-/m0000/s1.

What are the key properties of (9S)-5-(2-cyclopropylmorpholin-4-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(2,2-dimethylpropyl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(6-methylpyrazin-2-yl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?

(9S)-5-(2-cyclopropylmorpholin-4-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(2,2-dimethylpropyl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(6-methylpyrazin-2-yl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide has a molecular weight of 1627.86 g/mol, XLogP of 13.37, 10 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (9S)-5-(2-cyclopropylmorpholin-4-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(2,2-dimethylpropyl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(6-methylpyrazin-2-yl)-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide is sourced from PubChem (CID 159615370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).