benzyl (2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;(E)-4-bromobut-2-enoyl chloride;(E)-4-bromo-1-[(2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one;[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol;2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3-fluoroazetidine;methane;sulfane

C150H190Br2ClF9N28O11S9 — CID 157497165

About benzyl (2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;(E)-4-bromobut-2-enoyl chloride;(E)-4-bromo-1-[(2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one;[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol;2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3-fluoroazetidine;methane;sulfane

benzyl (2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;(E)-4-bromobut-2-enoyl chloride;(E)-4-bromo-1-[(2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one;[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol;2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3-fluoroazetidine;methane;sulfane (PubChem CID 157497165) has the molecular formula C150H190Br2ClF9N28O11S9 and a molecular weight of 3216.20 g/mol. Its IUPAC name is benzyl (2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;(E)-4-bromobut-2-enoyl chloride;(E)-4-bromo-1-[(2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one;[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol;2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3-fluoroazetidine;methane;sulfane.

Molecular Properties

• Compound Name: benzyl (2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;(E)-4-bromobut-2-enoyl chloride;(E)-4-bromo-1-[(2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one;[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol;2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3-fluoroazetidine;methane;sulfane
• PubChem CID: 157497165
• Molecular Formula: C150H190Br2ClF9N28O11S9
• Molecular Weight: 3216.20 g/mol
• Exact Mass: 3211.06
• IUPAC Name: benzyl (2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;(E)-4-bromobut-2-enoyl chloride;(E)-4-bromo-1-[(2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one;[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol;2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3-fluoroazetidine;methane;sulfane
• SMILES: C.CN1CC(F)(F)C[C@H]1CO.FC1CNC1.O=C(Cl)/C=C/CBr.S.S.S.S.S.S.S.S.[C-]#[N+]C[C@@H]1CCCN(c2nc(OC[C@@H]3CC(F)(F)CN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CC(F)(F)CN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)/C=C/CBr.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CC(F)(F)CN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)OCc1ccccc1.[C-]#[N+]C[C@H]1CN(c2nc(S(C)=O)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)OCc1ccccc1
• InChI: InChI=1S/C38H41F2N7O3.C34H38BrF2N7O2.C33H34N6O3S.C31H36F2N6O.C6H11F2NO.C4H4BrClO.C3H6FN.CH4.8H2S/c1-26-9-7-12-28-13-8-14-33(34(26)28)45-16-15-31-32(22-45)42-36(49-24-29-19-38(39,40)25-44(29)3)43-35(31)46-17-18-47(30(21-46)20-41-2)37(48)50-23-27-10-5-4-6-11-27;1-23-7-4-8-24-9-5-10-29(31(23)24)42-14-12-27-28(20-42)39-33(46-21-25-17-34(36,37)22-41(25)3)40-32(27)43-15-16-44(26(19-43)18-38-2)30(45)11-6-13-35;1-23-9-7-12-25-13-8-14-29(30(23)25)37-16-15-27-28(21-37)35-32(43(3)41)36-31(27)38-17-18-39(26(20-38)19-34-2)33(40)42-22-24-10-5-4-6-11-24;1-21-7-4-9-23-10-5-11-27(28(21)23)38-14-12-25-26(18-38)35-30(40-19-24-15-31(32,33)20-37(24)3)36-29(25)39-13-6-8-22(17-39)16-34-2;1-9-4-6(7,8)2-5(9)3-10;5-3-1-2-4(6)7;4-3-1-5-2-3;;;;;;;;;/h4-14,29-30H,15-25H2,1,3H3;4-11,25-26H,12-22H2,1,3H3;4-14,26H,15-22H2,1,3H3;4-5,7,9-11,22,24H,6,8,12-20H2,1,3H3;5,10H,2-4H2,1H3;1-2H,3H2;3,5H,1-2H2;1H4;8*1H2/b;11-6+;;;;2-1+;;;;;;;;;;/t29-,30-;25-,26-;26-,43?;22-,24-;5-;;;;;;;;;;;/m00000.........../s1
• InChIKey: BXYXKYKLRBZVQK-LPLMKJOCSA-N
• XLogP: 24.90
• TPSA: 332.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3216.20
LogP ≤ 5	24.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;(E)-4-bromobut-2-enoyl chloride;(E)-4-bromo-1-[(2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one;[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol;2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3-fluoroazetidine;methane;sulfane?

The IUPAC name of benzyl (2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;(E)-4-bromobut-2-enoyl chloride;(E)-4-bromo-1-[(2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one;[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol;2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3-fluoroazetidine;methane;sulfane (CID 157497165) is benzyl (2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;(E)-4-bromobut-2-enoyl chloride;(E)-4-bromo-1-[(2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one;[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol;2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3-fluoroazetidine;methane;sulfane.

What is the SMILES notation for benzyl (2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;(E)-4-bromobut-2-enoyl chloride;(E)-4-bromo-1-[(2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one;[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol;2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3-fluoroazetidine;methane;sulfane?

The canonical SMILES for benzyl (2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;(E)-4-bromobut-2-enoyl chloride;(E)-4-bromo-1-[(2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one;[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol;2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3-fluoroazetidine;methane;sulfane is C.CN1CC(F)(F)C[C@H]1CO.FC1CNC1.O=C(Cl)/C=C/CBr.S.S.S.S.S.S.S.S.[C-]#[N+]C[C@@H]1CCCN(c2nc(OC[C@@H]3CC(F)(F)CN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CC(F)(F)CN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)/C=C/CBr.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CC(F)(F)CN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)OCc1ccccc1.[C-]#[N+]C[C@H]1CN(c2nc(S(C)=O)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)OCc1ccccc1.

What is the InChIKey of benzyl (2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;(E)-4-bromobut-2-enoyl chloride;(E)-4-bromo-1-[(2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one;[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol;2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3-fluoroazetidine;methane;sulfane?

The InChIKey is BXYXKYKLRBZVQK-LPLMKJOCSA-N. The full InChI is InChI=1S/C38H41F2N7O3.C34H38BrF2N7O2.C33H34N6O3S.C31H36F2N6O.C6H11F2NO.C4H4BrClO.C3H6FN.CH4.8H2S/c1-26-9-7-12-28-13-8-14-33(34(26)28)45-16-15-31-32(22-45)42-36(49-24-29-19-38(39,40)25-44(29)3)43-35(31)46-17-18-47(30(21-46)20-41-2)37(48)50-23-27-10-5-4-6-11-27;1-23-7-4-8-24-9-5-10-29(31(23)24)42-14-12-27-28(20-42)39-33(46-21-25-17-34(36,37)22-41(25)3)40-32(27)43-15-16-44(26(19-43)18-38-2)30(45)11-6-13-35;1-23-9-7-12-25-13-8-14-29(30(23)25)37-16-15-27-28(21-37)35-32(43(3)41)36-31(27)38-17-18-39(26(20-38)19-34-2)33(40)42-22-24-10-5-4-6-11-24;1-21-7-4-9-23-10-5-11-27(28(21)23)38-14-12-25-26(18-38)35-30(40-19-24-15-31(32,33)20-37(24)3)36-29(25)39-13-6-8-22(17-39)16-34-2;1-9-4-6(7,8)2-5(9)3-10;5-3-1-2-4(6)7;4-3-1-5-2-3;;;;;;;;;/h4-14,29-30H,15-25H2,1,3H3;4-11,25-26H,12-22H2,1,3H3;4-14,26H,15-22H2,1,3H3;4-5,7,9-11,22,24H,6,8,12-20H2,1,3H3;5,10H,2-4H2,1H3;1-2H,3H2;3,5H,1-2H2;1H4;8*1H2/b;11-6+;;;;2-1+;;;;;;;;;;/t29-,30-;25-,26-;26-,43?;22-,24-;5-;;;;;;;;;;;/m00000.........../s1.

What are the key properties of benzyl (2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;(E)-4-bromobut-2-enoyl chloride;(E)-4-bromo-1-[(2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one;[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol;2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3-fluoroazetidine;methane;sulfane?

benzyl (2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;(E)-4-bromobut-2-enoyl chloride;(E)-4-bromo-1-[(2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one;[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol;2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3-fluoroazetidine;methane;sulfane has a molecular weight of 3216.20 g/mol, XLogP of 24.90, 31 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;(E)-4-bromobut-2-enoyl chloride;(E)-4-bromo-1-[(2R)-4-[2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-en-1-one;[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol;2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3-fluoroazetidine;methane;sulfane is sourced from PubChem (CID 157497165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).