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

C96H124BrN23O7 — CID 159289147

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

(8S)-2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-3-methyl-8-[3-[(4S)-4-methyl-6-[2-(oxan-2-yl)pyrazol-3-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[(4S)-4-methyl-6-(1H-pyrazol-5-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;(8S)-8-methyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline (PubChem CID 159289147) has the molecular formula C96H124BrN23O7 and a molecular weight of 1792.11 g/mol. Its IUPAC name is (8S)-2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-3-methyl-8-[3-[(4S)-4-methyl-6-[2-(oxan-2-yl)pyrazol-3-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[(4S)-4-methyl-6-(1H-pyrazol-5-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;(8S)-8-methyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline.

Molecular Properties

• Compound Name: (8S)-2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-3-methyl-8-[3-[(4S)-4-methyl-6-[2-(oxan-2-yl)pyrazol-3-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[(4S)-4-methyl-6-(1H-pyrazol-5-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;(8S)-8-methyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline
• PubChem CID: 159289147
• Molecular Formula: C96H124BrN23O7
• Molecular Weight: 1792.11 g/mol
• Exact Mass: 1789.92
• IUPAC Name: (8S)-2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-3-methyl-8-[3-[(4S)-4-methyl-6-[2-(oxan-2-yl)pyrazol-3-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[(4S)-4-methyl-6-(1H-pyrazol-5-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;(8S)-8-methyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline
• SMILES: C[C@@H]1OCC2(CCN(c3cnc4c(N5CC[C@H](C)c6nc(-c7ccnn7C7CCCCO7)ccc65)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3cnc4c(n3)CN=C4N3CC[C@H](C)c4nc(-c5ccn[nH]5)ccc43)CC2)[C@@H]1N.C[C@H]1CCCc2ccc(-c3ccnn3C3CCCCO3)nc21.C[C@H]1CCCc2ccc(Br)nc21
• InChI: InChI=1S/C41H56N10O5.C27H33N9O.C18H23N3O.C10H12BrN/c1-26-15-19-49(30-13-12-28(44-34(26)30)29-14-18-43-50(29)32-10-6-8-22-53-32)38-35-37(51(47-38)33-11-7-9-23-54-33)45-31(24-42-35)48-20-16-41(17-21-48)25-55-27(2)36(41)46-39(52)56-40(3,4)5;1-16-6-10-36(21-4-3-18(33-23(16)21)19-5-9-31-34-19)26-24-20(13-30-26)32-22(14-29-24)35-11-7-27(8-12-35)15-37-17(2)25(27)28;1-13-5-4-6-14-8-9-15(20-18(13)14)16-10-11-19-21(16)17-7-2-3-12-22-17;1-7-3-2-4-8-5-6-9(11)12-10(7)8/h12-14,18,24,26-27,32-33,36H,6-11,15-17,19-23,25H2,1-5H3,(H,46,52);3-5,9,14,16-17,25H,6-8,10-13,15,28H2,1-2H3,(H,31,34);8-11,13,17H,2-7,12H2,1H3;5-7H,2-4H2,1H3/t26-,27-,32?,33?,36+;16-,17-,25+;13-,17?;7-/m0000/s1
• InChIKey: KZWSHUVNQCMEGK-QAOHSOOTSA-N
• XLogP: 17.26
• TPSA: 321.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 10
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1792.11
LogP ≤ 5	17.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (8S)-2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-3-methyl-8-[3-[(4S)-4-methyl-6-[2-(oxan-2-yl)pyrazol-3-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[(4S)-4-methyl-6-(1H-pyrazol-5-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;(8S)-8-methyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline (CID 159289147) is (8S)-2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-3-methyl-8-[3-[(4S)-4-methyl-6-[2-(oxan-2-yl)pyrazol-3-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[(4S)-4-methyl-6-(1H-pyrazol-5-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;(8S)-8-methyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline.

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

The canonical SMILES for (8S)-2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-3-methyl-8-[3-[(4S)-4-methyl-6-[2-(oxan-2-yl)pyrazol-3-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[(4S)-4-methyl-6-(1H-pyrazol-5-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;(8S)-8-methyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline is C[C@@H]1OCC2(CCN(c3cnc4c(N5CC[C@H](C)c6nc(-c7ccnn7C7CCCCO7)ccc65)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3cnc4c(n3)CN=C4N3CC[C@H](C)c4nc(-c5ccn[nH]5)ccc43)CC2)[C@@H]1N.C[C@H]1CCCc2ccc(-c3ccnn3C3CCCCO3)nc21.C[C@H]1CCCc2ccc(Br)nc21.

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

The InChIKey is KZWSHUVNQCMEGK-QAOHSOOTSA-N. The full InChI is InChI=1S/C41H56N10O5.C27H33N9O.C18H23N3O.C10H12BrN/c1-26-15-19-49(30-13-12-28(44-34(26)30)29-14-18-43-50(29)32-10-6-8-22-53-32)38-35-37(51(47-38)33-11-7-9-23-54-33)45-31(24-42-35)48-20-16-41(17-21-48)25-55-27(2)36(41)46-39(52)56-40(3,4)5;1-16-6-10-36(21-4-3-18(33-23(16)21)19-5-9-31-34-19)26-24-20(13-30-26)32-22(14-29-24)35-11-7-27(8-12-35)15-37-17(2)25(27)28;1-13-5-4-6-14-8-9-15(20-18(13)14)16-10-11-19-21(16)17-7-2-3-12-22-17;1-7-3-2-4-8-5-6-9(11)12-10(7)8/h12-14,18,24,26-27,32-33,36H,6-11,15-17,19-23,25H2,1-5H3,(H,46,52);3-5,9,14,16-17,25H,6-8,10-13,15,28H2,1-2H3,(H,31,34);8-11,13,17H,2-7,12H2,1H3;5-7H,2-4H2,1H3/t26-,27-,32?,33?,36+;16-,17-,25+;13-,17?;7-/m0000/s1.

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

(8S)-2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-3-methyl-8-[3-[(4S)-4-methyl-6-[2-(oxan-2-yl)pyrazol-3-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[(4S)-4-methyl-6-(1H-pyrazol-5-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;(8S)-8-methyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline has a molecular weight of 1792.11 g/mol, XLogP of 17.26, 10 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;tert-butyl N-[(3S,4S)-3-methyl-8-[3-[(4S)-4-methyl-6-[2-(oxan-2-yl)pyrazol-3-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[(4S)-4-methyl-6-(1H-pyrazol-5-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;(8S)-8-methyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 159289147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).