(E)-1-[(2R)-4-[2-[[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-yl]methoxy]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2R)-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one

C80H98F8N16O6Si — CID 157075139

IUPAC(E)-1-[(2R)-4-[2-[[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-yl]methoxy]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2R)-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one
SMILES[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3C[C@@H](O)CN3C)nc3c2CCN(c2cccc(F)c2C(F)(F)F)C3)CCN1C(=O)/C=C/CN(C)C.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3C[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CN3C)nc3c2CCN(c2cccc(F)c2C(F)(F)F)C3)CCN1C(=O)/C=C/CN(C)C
InChIInChI=1S/C48H58F4N8O3Si.C32H40F4N8O3/c1-47(2,3)64(37-16-10-8-11-17-37,38-18-12-9-13-19-38)63-36-28-34(57(7)31-36)33-62-46-54-41-32-58(42-21-14-20-40(49)44(42)48(50,51)52)25-23-39(41)45(55-46)59-26-27-60(35(30-59)29-53-4)43(61)22-15-24-56(5)6;1-37-16-22-17-43(13-14-44(22)28(46)9-6-11-40(2)3)30-24-10-12-42(27-8-5-7-25(33)29(27)32(34,35)36)19-26(24)38-31(39-30)47-20-21-15-23(45)18-41(21)4/h8-22,34-36H,23-33H2,1-3,5-7H3;5-9,21-23,45H,10-20H2,2-4H3/b22-15+;9-6+/t34-,35-,36+;21-,22-,23+/m00/s1
InChIKeyACWRGEGMVXQXCA-OCUVWFLDSA-N
MW1559.84 g/mol
LogP8.97
Rot. Bonds22

About (E)-1-[(2R)-4-[2-[[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-yl]methoxy]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2R)-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one

(E)-1-[(2R)-4-[2-[[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-yl]methoxy]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2R)-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one (PubChem CID 157075139) has the molecular formula C80H98F8N16O6Si and a molecular weight of 1559.84 g/mol. Its IUPAC name is (E)-1-[(2R)-4-[2-[[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-yl]methoxy]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2R)-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[(2R)-4-[2-[[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-yl]methoxy]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2R)-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one
PubChem CID157075139
Molecular FormulaC80H98F8N16O6Si
Molecular Weight1559.84 g/mol
Exact Mass1558.75
IUPAC Name(E)-1-[(2R)-4-[2-[[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-yl]methoxy]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2R)-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one
SMILES[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3C[C@@H](O)CN3C)nc3c2CCN(c2cccc(F)c2C(F)(F)F)C3)CCN1C(=O)/C=C/CN(C)C.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3C[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CN3C)nc3c2CCN(c2cccc(F)c2C(F)(F)F)C3)CCN1C(=O)/C=C/CN(C)C
InChIInChI=1S/C48H58F4N8O3Si.C32H40F4N8O3/c1-47(2,3)64(37-16-10-8-11-17-37,38-18-12-9-13-19-38)63-36-28-34(57(7)31-36)33-62-46-54-41-32-58(42-21-14-20-40(49)44(42)48(50,51)52)25-23-39(41)45(55-46)59-26-27-60(35(30-59)29-53-4)43(61)22-15-24-56(5)6;1-37-16-22-17-43(13-14-44(22)28(46)9-6-11-40(2)3)30-24-10-12-42(27-8-5-7-25(33)29(27)32(34,35)36)19-26(24)38-31(39-30)47-20-21-15-23(45)18-41(21)4/h8-22,34-36H,23-33H2,1-3,5-7H3;5-9,21-23,45H,10-20H2,2-4H3/b22-15+;9-6+/t34-,35-,36+;21-,22-,23+/m00/s1
InChIKeyACWRGEGMVXQXCA-OCUVWFLDSA-N
XLogP8.97
TPSA174.74 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001559.84
LogP ≤ 58.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-[(2R)-4-[2-[[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-yl]methoxy]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2R)-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one with MolForge

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Related Compounds

1-[4-[2-[[(2S)-1-methyl-4-[3-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]-7-(2-propan-2-ylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 132162988
2-[4-[2-[3-[(1R,4R)-4-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 132163883
2-[4-[2-[3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 134325653
2-[4-[2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2,2,2-trifluoroacetic acid
CID 134325733
2-[4-[2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 134325780
2-[4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2R,4S)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 134326076
2-[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile
CID 134326394
2-[4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2R,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 134326454
2-[4-[2-[3-[(1R,4R,7R)-7-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 134340370
2-[(2S)-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 138637834
2-[(2S)-4-[2-[[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-yl]methoxy]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile
CID 140851224
1-[(2R)-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one
CID 140851255

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2R)-4-[2-[[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-yl]methoxy]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2R)-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one?
The IUPAC name of (E)-1-[(2R)-4-[2-[[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-yl]methoxy]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2R)-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one (CID 157075139) is (E)-1-[(2R)-4-[2-[[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-yl]methoxy]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2R)-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one.
What is the SMILES notation for (E)-1-[(2R)-4-[2-[[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-yl]methoxy]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2R)-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one?
The canonical SMILES for (E)-1-[(2R)-4-[2-[[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-yl]methoxy]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2R)-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one is [C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3C[C@@H](O)CN3C)nc3c2CCN(c2cccc(F)c2C(F)(F)F)C3)CCN1C(=O)/C=C/CN(C)C.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3C[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CN3C)nc3c2CCN(c2cccc(F)c2C(F)(F)F)C3)CCN1C(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-1-[(2R)-4-[2-[[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-yl]methoxy]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2R)-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one?
The InChIKey is ACWRGEGMVXQXCA-OCUVWFLDSA-N. The full InChI is InChI=1S/C48H58F4N8O3Si.C32H40F4N8O3/c1-47(2,3)64(37-16-10-8-11-17-37,38-18-12-9-13-19-38)63-36-28-34(57(7)31-36)33-62-46-54-41-32-58(42-21-14-20-40(49)44(42)48(50,51)52)25-23-39(41)45(55-46)59-26-27-60(35(30-59)29-53-4)43(61)22-15-24-56(5)6;1-37-16-22-17-43(13-14-44(22)28(46)9-6-11-40(2)3)30-24-10-12-42(27-8-5-7-25(33)29(27)32(34,35)36)19-26(24)38-31(39-30)47-20-21-15-23(45)18-41(21)4/h8-22,34-36H,23-33H2,1-3,5-7H3;5-9,21-23,45H,10-20H2,2-4H3/b22-15+;9-6+/t34-,35-,36+;21-,22-,23+/m00/s1.
What are the key properties of (E)-1-[(2R)-4-[2-[[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-yl]methoxy]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2R)-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one?
(E)-1-[(2R)-4-[2-[[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-yl]methoxy]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2R)-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one has a molecular weight of 1559.84 g/mol, XLogP of 8.97, 22 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2R)-4-[2-[[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-yl]methoxy]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2R)-4-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one is sourced from PubChem (CID 157075139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).