2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methyl]carbamate;methane;[4-methyl-1-[7-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanamine;2-(8-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole;2-[(8S)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;2-[(8R)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;methyl thiohypofluorite

C110H136BrFN24O3S6 — CID 159704104

About 2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methyl]carbamate;methane;[4-methyl-1-[7-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanamine;2-(8-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole;2-[(8S)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;2-[(8R)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;methyl thiohypofluorite

2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methyl]carbamate;methane;[4-methyl-1-[7-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanamine;2-(8-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole;2-[(8S)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;2-[(8R)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;methyl thiohypofluorite (PubChem CID 159704104) has the molecular formula C110H136BrFN24O3S6 and a molecular weight of 2133.77 g/mol. Its IUPAC name is 2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methyl]carbamate;methane;[4-methyl-1-[7-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanamine;2-(8-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole;2-[(8S)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;2-[(8R)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;methyl thiohypofluorite.

Molecular Properties

• Compound Name: 2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methyl]carbamate;methane;[4-methyl-1-[7-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanamine;2-(8-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole;2-[(8S)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;2-[(8R)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;methyl thiohypofluorite
• PubChem CID: 159704104
• Molecular Formula: C110H136BrFN24O3S6
• Molecular Weight: 2133.77 g/mol
• Exact Mass: 2130.87
• IUPAC Name: 2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methyl]carbamate;methane;[4-methyl-1-[7-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanamine;2-(8-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole;2-[(8S)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;2-[(8R)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;methyl thiohypofluorite
• SMILES: C.CC1CCCc2ccc(-c3nccs3)nc21.CC1CCCc2ccc(Br)nc21.CSF.C[C@@H]1CCCc2ccc(-c3nccs3)nc21.C[C@H]1CCCc2ccc(-c3nccs3)nc21.C[C@H]1CCN(C2=NCc3nc(N4CCC(C)(CN)CC4)cnc32)c2ccc(-c3nccs3)nc21.C[C@H]1CCN(c2nn(C3CCCCO3)c3nc(N4CCC(C)(CNC(=O)OC(C)(C)C)CC4)cnc23)c2ccc(-c3nccs3)nc21
• InChI: InChI=1S/C34H45N9O3S.C25H30N8S.3C13H14N2S.C10H12BrN.CH3FS.CH4/c1-22-11-15-42(24-10-9-23(38-27(22)24)31-35-14-19-47-31)30-28-29(43(40-30)26-8-6-7-18-45-26)39-25(20-36-28)41-16-12-34(5,13-17-41)21-37-32(44)46-33(2,3)4;1-16-5-9-33(19-4-3-17(31-21(16)19)24-27-8-12-34-24)23-22-18(13-29-23)30-20(14-28-22)32-10-6-25(2,15-26)7-11-32;3*1-9-3-2-4-10-5-6-11(15-12(9)10)13-14-7-8-16-13;1-7-3-2-4-8-5-6-9(11)12-10(7)8;1-3-2;/h9-10,14,19-20,22,26H,6-8,11-13,15-18,21H2,1-5H3,(H,37,44);3-4,8,12,14,16H,5-7,9-11,13,15,26H2,1-2H3;3*5-9H,2-4H2,1H3;5-7H,2-4H2,1H3;1H3;1H4/t22-,26?;16-;2*9-;;;;/m0010..../s1
• InChIKey: MXZLAEFXSNEABW-JHCJBHDPSA-N
• XLogP: 26.74
• TPSA: 310.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 12
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2133.77
LogP ≤ 5	26.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methyl]carbamate;methane;[4-methyl-1-[7-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanamine;2-(8-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole;2-[(8S)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;2-[(8R)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;methyl thiohypofluorite?

The IUPAC name of 2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methyl]carbamate;methane;[4-methyl-1-[7-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanamine;2-(8-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole;2-[(8S)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;2-[(8R)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;methyl thiohypofluorite (CID 159704104) is 2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methyl]carbamate;methane;[4-methyl-1-[7-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanamine;2-(8-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole;2-[(8S)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;2-[(8R)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;methyl thiohypofluorite.

What is the SMILES notation for 2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methyl]carbamate;methane;[4-methyl-1-[7-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanamine;2-(8-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole;2-[(8S)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;2-[(8R)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;methyl thiohypofluorite?

The canonical SMILES for 2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methyl]carbamate;methane;[4-methyl-1-[7-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanamine;2-(8-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole;2-[(8S)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;2-[(8R)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;methyl thiohypofluorite is C.CC1CCCc2ccc(-c3nccs3)nc21.CC1CCCc2ccc(Br)nc21.CSF.C[C@@H]1CCCc2ccc(-c3nccs3)nc21.C[C@H]1CCCc2ccc(-c3nccs3)nc21.C[C@H]1CCN(C2=NCc3nc(N4CCC(C)(CN)CC4)cnc32)c2ccc(-c3nccs3)nc21.C[C@H]1CCN(c2nn(C3CCCCO3)c3nc(N4CCC(C)(CNC(=O)OC(C)(C)C)CC4)cnc23)c2ccc(-c3nccs3)nc21.

What is the InChIKey of 2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methyl]carbamate;methane;[4-methyl-1-[7-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanamine;2-(8-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole;2-[(8S)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;2-[(8R)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;methyl thiohypofluorite?

The InChIKey is MXZLAEFXSNEABW-JHCJBHDPSA-N. The full InChI is InChI=1S/C34H45N9O3S.C25H30N8S.3C13H14N2S.C10H12BrN.CH3FS.CH4/c1-22-11-15-42(24-10-9-23(38-27(22)24)31-35-14-19-47-31)30-28-29(43(40-30)26-8-6-7-18-45-26)39-25(20-36-28)41-16-12-34(5,13-17-41)21-37-32(44)46-33(2,3)4;1-16-5-9-33(19-4-3-17(31-21(16)19)24-27-8-12-34-24)23-22-18(13-29-23)30-20(14-28-22)32-10-6-25(2,15-26)7-11-32;3*1-9-3-2-4-10-5-6-11(15-12(9)10)13-14-7-8-16-13;1-7-3-2-4-8-5-6-9(11)12-10(7)8;1-3-2;/h9-10,14,19-20,22,26H,6-8,11-13,15-18,21H2,1-5H3,(H,37,44);3-4,8,12,14,16H,5-7,9-11,13,15,26H2,1-2H3;3*5-9H,2-4H2,1H3;5-7H,2-4H2,1H3;1H3;1H4/t22-,26?;16-;2*9-;;;;/m0010..../s1.

What are the key properties of 2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methyl]carbamate;methane;[4-methyl-1-[7-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanamine;2-(8-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole;2-[(8S)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;2-[(8R)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;methyl thiohypofluorite?

2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methyl]carbamate;methane;[4-methyl-1-[7-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanamine;2-(8-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole;2-[(8S)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;2-[(8R)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;methyl thiohypofluorite has a molecular weight of 2133.77 g/mol, XLogP of 26.74, 12 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methyl]carbamate;methane;[4-methyl-1-[7-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanamine;2-(8-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole;2-[(8S)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;2-[(8R)-8-methyl-5,6,7,8-tetrahydroquinolin-2-yl]-1,3-thiazole;methyl thiohypofluorite is sourced from PubChem (CID 159704104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).