2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-3-methyl-8-[1-(oxan-2-yl)-3-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane;2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole

C106H144BrIN26O9S9 — CID 159575386

About 2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-3-methyl-8-[1-(oxan-2-yl)-3-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane;2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole

2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-3-methyl-8-[1-(oxan-2-yl)-3-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane;2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole (PubChem CID 159575386) has the molecular formula C106H144BrIN26O9S9 and a molecular weight of 2421.90 g/mol. Its IUPAC name is 2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-3-methyl-8-[1-(oxan-2-yl)-3-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane;2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: 2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-3-methyl-8-[1-(oxan-2-yl)-3-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane;2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole
• PubChem CID: 159575386
• Molecular Formula: C106H144BrIN26O9S9
• Molecular Weight: 2421.90 g/mol
• Exact Mass: 2418.73
• IUPAC Name: 2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-3-methyl-8-[1-(oxan-2-yl)-3-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane;2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole
• SMILES: Brc1ccc2c(n1)CCCC2.C[C@@H]1OCC2(CCN(c3cnc4c(I)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6nc(-c7nccs7)ccc65)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3cnc4c(n3)CN=C4N3CCCc4nc(-c5nccs5)ccc43)CC2)[C@@H]1N.S.S.S.S.S.S.c1csc(-c2ccc3c(n2)CCCC3)n1
• InChI: InChI=1S/C35H45N9O4S.C26H30N8OS.C24H35IN6O4.C12H12N2S.C9H10BrN.6H2S/c1-22-29(40-33(45)48-34(2,3)4)35(21-47-22)12-16-42(17-13-35)26-20-37-28-30(39-26)44(27-9-5-6-18-46-27)41-31(28)43-15-7-8-23-25(43)11-10-24(38-23)32-36-14-19-49-32;1-16-23(27)26(15-35-16)6-10-33(11-7-26)21-14-29-22-19(32-21)13-30-24(22)34-9-2-3-17-20(34)5-4-18(31-17)25-28-8-12-36-25;1-15-19(28-22(32)35-23(2,3)4)24(14-34-15)8-10-30(11-9-24)16-13-26-18-20(25)29-31(21(18)27-16)17-7-5-6-12-33-17;1-2-4-10-9(3-1)5-6-11(14-10)12-13-7-8-15-12;10-9-6-5-7-3-1-2-4-8(7)11-9;;;;;;/h10-11,14,19-20,22,27,29H,5-9,12-13,15-18,21H2,1-4H3,(H,40,45);4-5,8,12,14,16,23H,2-3,6-7,9-11,13,15,27H2,1H3;13,15,17,19H,5-12,14H2,1-4H3,(H,28,32);5-8H,1-4H2;5-6H,1-4H2;6*1H2/t22-,27?,29+;16-,23+;15-,17?,19+;;;;;;;;/m000......../s1
• InChIKey: MIIMFHDBJAKKDS-DOXSRRIGSA-N
• XLogP: 19.58
• TPSA: 380.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 11
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2421.90
LogP ≤ 5	19.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-3-methyl-8-[1-(oxan-2-yl)-3-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane;2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole?

The IUPAC name of 2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-3-methyl-8-[1-(oxan-2-yl)-3-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane;2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole (CID 159575386) is 2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-3-methyl-8-[1-(oxan-2-yl)-3-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane;2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole.

What is the SMILES notation for 2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-3-methyl-8-[1-(oxan-2-yl)-3-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane;2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole?

The canonical SMILES for 2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-3-methyl-8-[1-(oxan-2-yl)-3-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane;2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole is Brc1ccc2c(n1)CCCC2.C[C@@H]1OCC2(CCN(c3cnc4c(I)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6nc(-c7nccs7)ccc65)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3cnc4c(n3)CN=C4N3CCCc4nc(-c5nccs5)ccc43)CC2)[C@@H]1N.S.S.S.S.S.S.c1csc(-c2ccc3c(n2)CCCC3)n1.

What is the InChIKey of 2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-3-methyl-8-[1-(oxan-2-yl)-3-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane;2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole?

The InChIKey is MIIMFHDBJAKKDS-DOXSRRIGSA-N. The full InChI is InChI=1S/C35H45N9O4S.C26H30N8OS.C24H35IN6O4.C12H12N2S.C9H10BrN.6H2S/c1-22-29(40-33(45)48-34(2,3)4)35(21-47-22)12-16-42(17-13-35)26-20-37-28-30(39-26)44(27-9-5-6-18-46-27)41-31(28)43-15-7-8-23-25(43)11-10-24(38-23)32-36-14-19-49-32;1-16-23(27)26(15-35-16)6-10-33(11-7-26)21-14-29-22-19(32-21)13-30-24(22)34-9-2-3-17-20(34)5-4-18(31-17)25-28-8-12-36-25;1-15-19(28-22(32)35-23(2,3)4)24(14-34-15)8-10-30(11-9-24)16-13-26-18-20(25)29-31(21(18)27-16)17-7-5-6-12-33-17;1-2-4-10-9(3-1)5-6-11(14-10)12-13-7-8-15-12;10-9-6-5-7-3-1-2-4-8(7)11-9;;;;;;/h10-11,14,19-20,22,27,29H,5-9,12-13,15-18,21H2,1-4H3,(H,40,45);4-5,8,12,14,16,23H,2-3,6-7,9-11,13,15,27H2,1H3;13,15,17,19H,5-12,14H2,1-4H3,(H,28,32);5-8H,1-4H2;5-6H,1-4H2;6*1H2/t22-,27?,29+;16-,23+;15-,17?,19+;;;;;;;;/m000......../s1.

What are the key properties of 2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-3-methyl-8-[1-(oxan-2-yl)-3-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane;2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole?

2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-3-methyl-8-[1-(oxan-2-yl)-3-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane;2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole has a molecular weight of 2421.90 g/mol, XLogP of 19.58, 11 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-3-methyl-8-[1-(oxan-2-yl)-3-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane;2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole is sourced from PubChem (CID 159575386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).