benzyl (2S)-2-(cyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;2-fluoroprop-2-enoic acid;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-naphthalen-1-yl-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;sulfane

C148H191F4N27O12S9 — CID 159986215

About benzyl (2S)-2-(cyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;2-fluoroprop-2-enoic acid;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-naphthalen-1-yl-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;sulfane

benzyl (2S)-2-(cyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;2-fluoroprop-2-enoic acid;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-naphthalen-1-yl-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;sulfane (PubChem CID 159986215) has the molecular formula C148H191F4N27O12S9 and a molecular weight of 2904.93 g/mol. Its IUPAC name is benzyl (2S)-2-(cyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;2-fluoroprop-2-enoic acid;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-naphthalen-1-yl-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;sulfane.

Molecular Properties

• Compound Name: benzyl (2S)-2-(cyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;2-fluoroprop-2-enoic acid;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-naphthalen-1-yl-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;sulfane
• PubChem CID: 159986215
• Molecular Formula: C148H191F4N27O12S9
• Molecular Weight: 2904.93 g/mol
• Exact Mass: 2902.26
• IUPAC Name: benzyl (2S)-2-(cyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;2-fluoroprop-2-enoic acid;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-naphthalen-1-yl-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;sulfane
• SMILES: C=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CC(C)(C)CN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.C=C(F)C(=O)O.CN1CC(C)(C)C[C@H]1COc1nc2c(c(N3CCC[C@@H](CC#N)C3)n1)CCN(c1cccc3ccccc13)C2.Cc1cccc2cccc(N3CCc4c(nc(OC[C@@H]5CC(C)(C)CN5C)nc4N4CCN(C(=O)OCc5ccccc5)[C@@H](CC#N)C4)C3)c12.OC[C@@H]1CC(F)(F)CN1.S.S.S.S.S.S.S.S.[C-]#[N+]C[C@H]1CN(c2nc(S(C)=O)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)OCc1ccccc1
• InChI: InChI=1S/C40H47N7O3.C35H42FN7O2.C33H34N6O3S.C32H40N6O.C5H9F2NO.C3H3FO2.8H2S/c1-28-10-8-13-30-14-9-15-35(36(28)30)45-19-17-33-34(24-45)42-38(49-26-32-22-40(2,3)27-44(32)4)43-37(33)46-20-21-47(31(23-46)16-18-41)39(48)50-25-29-11-6-5-7-12-29;1-23-8-6-9-25-10-7-11-30(31(23)25)41-15-13-28-29(20-41)38-34(45-21-27-18-35(3,4)22-40(27)5)39-32(28)42-16-17-43(33(44)24(2)36)26(19-42)12-14-37;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;1-32(2)18-25(36(3)22-32)21-39-31-34-28-20-37(29-12-6-10-24-9-4-5-11-26(24)29)17-14-27(28)30(35-31)38-16-7-8-23(19-38)13-15-33;6-5(7)1-4(2-9)8-3-5;1-2(4)3(5)6;;;;;;;;/h5-15,31-32H,16-17,19-27H2,1-4H3;6-11,26-27H,2,12-13,15-22H2,1,3-5H3;4-14,26H,15-22H2,1,3H3;4-6,9-12,23,25H,7-8,13-14,16-22H2,1-3H3;4,8-9H,1-3H2;1H2,(H,5,6);8*1H2/t31-,32-;26-,27-;26-,43?;23-,25-;4-;;;;;;;;;/m00000........./s1
• InChIKey: OGJFPGAWAYXGND-USLWZOOMSA-N
• XLogP: 23.22
• TPSA: 408.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2904.93
LogP ≤ 5	23.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'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 (2S)-2-(cyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;2-fluoroprop-2-enoic acid;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-naphthalen-1-yl-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;sulfane?

The IUPAC name of benzyl (2S)-2-(cyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;2-fluoroprop-2-enoic acid;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-naphthalen-1-yl-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;sulfane (CID 159986215) is benzyl (2S)-2-(cyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;2-fluoroprop-2-enoic acid;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-naphthalen-1-yl-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;sulfane.

What is the SMILES notation for benzyl (2S)-2-(cyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;2-fluoroprop-2-enoic acid;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-naphthalen-1-yl-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;sulfane?

The canonical SMILES for benzyl (2S)-2-(cyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;2-fluoroprop-2-enoic acid;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-naphthalen-1-yl-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;sulfane is C=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CC(C)(C)CN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.C=C(F)C(=O)O.CN1CC(C)(C)C[C@H]1COc1nc2c(c(N3CCC[C@@H](CC#N)C3)n1)CCN(c1cccc3ccccc13)C2.Cc1cccc2cccc(N3CCc4c(nc(OC[C@@H]5CC(C)(C)CN5C)nc4N4CCN(C(=O)OCc5ccccc5)[C@@H](CC#N)C4)C3)c12.OC[C@@H]1CC(F)(F)CN1.S.S.S.S.S.S.S.S.[C-]#[N+]C[C@H]1CN(c2nc(S(C)=O)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)OCc1ccccc1.

What is the InChIKey of benzyl (2S)-2-(cyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;2-fluoroprop-2-enoic acid;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-naphthalen-1-yl-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;sulfane?

The InChIKey is OGJFPGAWAYXGND-USLWZOOMSA-N. The full InChI is InChI=1S/C40H47N7O3.C35H42FN7O2.C33H34N6O3S.C32H40N6O.C5H9F2NO.C3H3FO2.8H2S/c1-28-10-8-13-30-14-9-15-35(36(28)30)45-19-17-33-34(24-45)42-38(49-26-32-22-40(2,3)27-44(32)4)43-37(33)46-20-21-47(31(23-46)16-18-41)39(48)50-25-29-11-6-5-7-12-29;1-23-8-6-9-25-10-7-11-30(31(23)25)41-15-13-28-29(20-41)38-34(45-21-27-18-35(3,4)22-40(27)5)39-32(28)42-16-17-43(33(44)24(2)36)26(19-42)12-14-37;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;1-32(2)18-25(36(3)22-32)21-39-31-34-28-20-37(29-12-6-10-24-9-4-5-11-26(24)29)17-14-27(28)30(35-31)38-16-7-8-23(19-38)13-15-33;6-5(7)1-4(2-9)8-3-5;1-2(4)3(5)6;;;;;;;;/h5-15,31-32H,16-17,19-27H2,1-4H3;6-11,26-27H,2,12-13,15-22H2,1,3-5H3;4-14,26H,15-22H2,1,3H3;4-6,9-12,23,25H,7-8,13-14,16-22H2,1-3H3;4,8-9H,1-3H2;1H2,(H,5,6);8*1H2/t31-,32-;26-,27-;26-,43?;23-,25-;4-;;;;;;;;;/m00000........./s1.

What are the key properties of benzyl (2S)-2-(cyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;2-fluoroprop-2-enoic acid;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-naphthalen-1-yl-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;sulfane?

benzyl (2S)-2-(cyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;2-fluoroprop-2-enoic acid;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-naphthalen-1-yl-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;sulfane has a molecular weight of 2904.93 g/mol, XLogP of 23.22, 29 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2S)-2-(cyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;2-fluoroprop-2-enoic acid;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile;2-[(3S)-1-[7-naphthalen-1-yl-2-[[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetonitrile;sulfane is sourced from PubChem (CID 159986215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).