2-[4-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7-isocyano-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylacetamide;tert-butyl N-[(3S,4S)-8-[3-[4-[2-(dimethylamino)-2-oxoethyl]-6-isocyano-2,3-dihydroquinoxalin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid;methyl 2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetate

C138H179N35O19 — CID 160514293

About 2-[4-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7-isocyano-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylacetamide;tert-butyl N-[(3S,4S)-8-[3-[4-[2-(dimethylamino)-2-oxoethyl]-6-isocyano-2,3-dihydroquinoxalin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid;methyl 2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetate

2-[4-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7-isocyano-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylacetamide;tert-butyl N-[(3S,4S)-8-[3-[4-[2-(dimethylamino)-2-oxoethyl]-6-isocyano-2,3-dihydroquinoxalin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid;methyl 2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetate (PubChem CID 160514293) has the molecular formula C138H179N35O19 and a molecular weight of 2632.18 g/mol. Its IUPAC name is 2-[4-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7-isocyano-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylacetamide;tert-butyl N-[(3S,4S)-8-[3-[4-[2-(dimethylamino)-2-oxoethyl]-6-isocyano-2,3-dihydroquinoxalin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid;methyl 2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetate.

Molecular Properties

• Compound Name: 2-[4-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7-isocyano-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylacetamide;tert-butyl N-[(3S,4S)-8-[3-[4-[2-(dimethylamino)-2-oxoethyl]-6-isocyano-2,3-dihydroquinoxalin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid;methyl 2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetate
• PubChem CID: 160514293
• Molecular Formula: C138H179N35O19
• Molecular Weight: 2632.18 g/mol
• Exact Mass: 2630.41
• IUPAC Name: 2-[4-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7-isocyano-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylacetamide;tert-butyl N-[(3S,4S)-8-[3-[4-[2-(dimethylamino)-2-oxoethyl]-6-isocyano-2,3-dihydroquinoxalin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid;methyl 2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetate
• SMILES: [C-]#[N+]c1ccc2c(c1)C(CC(=O)O)CCN2c1nn(C2CCCCO2)c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4NC(=O)OC(C)(C)C)cnc12.[C-]#[N+]c1ccc2c(c1)C(CC(=O)OC)CCN2c1nn(C2CCCCO2)c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4NC(=O)OC(C)(C)C)cnc12.[C-]#[N+]c1ccc2c(c1)N(CC(=O)N(C)C)CCN2C1=NCc2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc21.[C-]#[N+]c1ccc2c(c1)N(CC(=O)N(C)C)CCN2c1nn(C2CCCCO2)c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4NC(=O)OC(C)(C)C)cnc12
• InChI: InChI=1S/C37H50N10O5.C37H48N8O6.C36H46N8O6.C28H35N9O2/c1-24-32(41-35(49)52-36(2,3)4)37(23-51-24)13-15-44(16-14-37)28-21-39-31-33(40-28)47(30-10-8-9-19-50-30)42-34(31)46-18-17-45(22-29(48)43(6)7)27-20-25(38-5)11-12-26(27)46;1-23-32(41-35(47)51-36(2,3)4)37(22-50-23)13-16-43(17-14-37)28-21-39-31-33(40-28)45(29-9-7-8-18-49-29)42-34(31)44-15-12-24(19-30(46)48-6)26-20-25(38-5)10-11-27(26)44;1-22-31(40-34(47)50-35(2,3)4)36(21-49-22)12-15-42(16-13-36)27-20-38-30-32(39-27)44(28-8-6-7-17-48-28)41-33(30)43-14-11-23(18-29(45)46)25-19-24(37-5)9-10-26(25)43;1-18-26(29)28(17-39-18)7-9-35(10-8-28)23-15-31-25-20(33-23)14-32-27(25)37-12-11-36(16-24(38)34(3)4)22-13-19(30-2)5-6-21(22)37/h11-12,20-21,24,30,32H,8-10,13-19,22-23H2,1-4,6-7H3,(H,41,49);10-11,20-21,23-24,29,32H,7-9,12-19,22H2,1-4,6H3,(H,41,47);9-10,19-20,22-23,28,31H,6-8,11-18,21H2,1-4H3,(H,40,47)(H,45,46);5-6,13,15,18,26H,7-12,14,16-17,29H2,1,3-4H3/t24-,30?,32+;23-,24?,29?,32+;22-,23?,28?,31+;18-,26+/m0000/s1
• InChIKey: QTLFKUIHMOKSJR-WXXWBGMKSA-N
• XLogP: 19.29
• TPSA: 528.62 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 44
• Rotatable Bonds: 21
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2632.18
LogP ≤ 5	19.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7-isocyano-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylacetamide;tert-butyl N-[(3S,4S)-8-[3-[4-[2-(dimethylamino)-2-oxoethyl]-6-isocyano-2,3-dihydroquinoxalin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid;methyl 2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetate?

The IUPAC name of 2-[4-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7-isocyano-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylacetamide;tert-butyl N-[(3S,4S)-8-[3-[4-[2-(dimethylamino)-2-oxoethyl]-6-isocyano-2,3-dihydroquinoxalin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid;methyl 2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetate (CID 160514293) is 2-[4-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7-isocyano-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylacetamide;tert-butyl N-[(3S,4S)-8-[3-[4-[2-(dimethylamino)-2-oxoethyl]-6-isocyano-2,3-dihydroquinoxalin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid;methyl 2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetate.

What is the SMILES notation for 2-[4-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7-isocyano-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylacetamide;tert-butyl N-[(3S,4S)-8-[3-[4-[2-(dimethylamino)-2-oxoethyl]-6-isocyano-2,3-dihydroquinoxalin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid;methyl 2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetate?

The canonical SMILES for 2-[4-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7-isocyano-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylacetamide;tert-butyl N-[(3S,4S)-8-[3-[4-[2-(dimethylamino)-2-oxoethyl]-6-isocyano-2,3-dihydroquinoxalin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid;methyl 2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetate is [C-]#[N+]c1ccc2c(c1)C(CC(=O)O)CCN2c1nn(C2CCCCO2)c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4NC(=O)OC(C)(C)C)cnc12.[C-]#[N+]c1ccc2c(c1)C(CC(=O)OC)CCN2c1nn(C2CCCCO2)c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4NC(=O)OC(C)(C)C)cnc12.[C-]#[N+]c1ccc2c(c1)N(CC(=O)N(C)C)CCN2C1=NCc2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc21.[C-]#[N+]c1ccc2c(c1)N(CC(=O)N(C)C)CCN2c1nn(C2CCCCO2)c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4NC(=O)OC(C)(C)C)cnc12.

What is the InChIKey of 2-[4-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7-isocyano-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylacetamide;tert-butyl N-[(3S,4S)-8-[3-[4-[2-(dimethylamino)-2-oxoethyl]-6-isocyano-2,3-dihydroquinoxalin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid;methyl 2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetate?

The InChIKey is QTLFKUIHMOKSJR-WXXWBGMKSA-N. The full InChI is InChI=1S/C37H50N10O5.C37H48N8O6.C36H46N8O6.C28H35N9O2/c1-24-32(41-35(49)52-36(2,3)4)37(23-51-24)13-15-44(16-14-37)28-21-39-31-33(40-28)47(30-10-8-9-19-50-30)42-34(31)46-18-17-45(22-29(48)43(6)7)27-20-25(38-5)11-12-26(27)46;1-23-32(41-35(47)51-36(2,3)4)37(22-50-23)13-16-43(17-14-37)28-21-39-31-33(40-28)45(29-9-7-8-18-49-29)42-34(31)44-15-12-24(19-30(46)48-6)26-20-25(38-5)10-11-27(26)44;1-22-31(40-34(47)50-35(2,3)4)36(21-49-22)12-15-42(16-13-36)27-20-38-30-32(39-27)44(28-8-6-7-17-48-28)41-33(30)43-14-11-23(18-29(45)46)25-19-24(37-5)9-10-26(25)43;1-18-26(29)28(17-39-18)7-9-35(10-8-28)23-15-31-25-20(33-23)14-32-27(25)37-12-11-36(16-24(38)34(3)4)22-13-19(30-2)5-6-21(22)37/h11-12,20-21,24,30,32H,8-10,13-19,22-23H2,1-4,6-7H3,(H,41,49);10-11,20-21,23-24,29,32H,7-9,12-19,22H2,1-4,6H3,(H,41,47);9-10,19-20,22-23,28,31H,6-8,11-18,21H2,1-4H3,(H,40,47)(H,45,46);5-6,13,15,18,26H,7-12,14,16-17,29H2,1,3-4H3/t24-,30?,32+;23-,24?,29?,32+;22-,23?,28?,31+;18-,26+/m0000/s1.

What are the key properties of 2-[4-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7-isocyano-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylacetamide;tert-butyl N-[(3S,4S)-8-[3-[4-[2-(dimethylamino)-2-oxoethyl]-6-isocyano-2,3-dihydroquinoxalin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid;methyl 2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetate?

2-[4-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7-isocyano-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylacetamide;tert-butyl N-[(3S,4S)-8-[3-[4-[2-(dimethylamino)-2-oxoethyl]-6-isocyano-2,3-dihydroquinoxalin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid;methyl 2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetate has a molecular weight of 2632.18 g/mol, XLogP of 19.29, 21 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7-isocyano-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylacetamide;tert-butyl N-[(3S,4S)-8-[3-[4-[2-(dimethylamino)-2-oxoethyl]-6-isocyano-2,3-dihydroquinoxalin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid;methyl 2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetate is sourced from PubChem (CID 160514293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).