benzyl (2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;carbanide;1-[(2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;palladium(2+);prop-2-enoyl prop-2-enoate;sulfane

C149H192F3N27O15PdS9 — CID 158908639

About benzyl (2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;carbanide;1-[(2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;palladium(2+);prop-2-enoyl prop-2-enoate;sulfane

benzyl (2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;carbanide;1-[(2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;palladium(2+);prop-2-enoyl prop-2-enoate;sulfane (PubChem CID 158908639) has the molecular formula C149H192F3N27O15PdS9 and a molecular weight of 3053.37 g/mol. Its IUPAC name is benzyl (2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;carbanide;1-[(2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;palladium(2+);prop-2-enoyl prop-2-enoate;sulfane.

Molecular Properties

• Compound Name: benzyl (2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;carbanide;1-[(2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;palladium(2+);prop-2-enoyl prop-2-enoate;sulfane
• PubChem CID: 158908639
• Molecular Formula: C149H192F3N27O15PdS9
• Molecular Weight: 3053.37 g/mol
• Exact Mass: 3050.16
• IUPAC Name: benzyl (2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;carbanide;1-[(2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;palladium(2+);prop-2-enoyl prop-2-enoate;sulfane
• SMILES: C=CC(=O)OC(=O)C=C.Cc1ccc2cccc(OS(=O)(=O)C(F)(F)F)c2c1.S.S.S.S.S.S.S.S.[C-]#[N+]C[C@@H]1CCCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(C)cc24)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(C)cc24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(C)cc24)C3)CCN1C(=O)OCc1ccccc1.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCNC3)CCN1C(=O)OCc1ccccc1.[CH3-].[CH3-].[Pd+2]
• InChI: InChI=1S/C38H43N7O3.C33H39N7O2.C31H38N6O.C27H35N7O3.C12H9F3O3S.C6H6O3.2CH3.Pd.8H2S/c1-27-14-15-29-11-7-13-35(33(29)21-27)43-18-16-32-34(24-43)40-37(47-26-30-12-8-17-42(30)3)41-36(32)44-19-20-45(31(23-44)22-39-2)38(46)48-25-28-9-5-4-6-10-28;1-5-31(41)40-17-16-39(20-26(40)19-34-3)32-27-13-15-38(30-10-6-8-24-12-11-23(2)18-28(24)30)21-29(27)35-33(36-32)42-22-25-9-7-14-37(25)4;1-22-11-12-24-8-4-10-29(27(24)17-22)36-16-13-26-28(20-36)33-31(38-21-25-9-6-14-35(25)3)34-30(26)37-15-5-7-23(19-37)18-32-2;1-28-15-22-17-33(13-14-34(22)27(35)37-18-20-7-4-3-5-8-20)25-23-10-11-29-16-24(23)30-26(31-25)36-19-21-9-6-12-32(21)2;1-8-5-6-9-3-2-4-11(10(9)7-8)18-19(16,17)12(13,14)15;1-3-5(7)9-6(8)4-2;;;;;;;;;;;/h4-7,9-11,13-15,21,30-31H,8,12,16-20,22-26H2,1,3H3;5-6,8,10-12,18,25-26H,1,7,9,13-17,19-22H2,2,4H3;4,8,10-12,17,23,25H,5-7,9,13-16,18-21H2,1,3H3;3-5,7-8,21-22,29H,6,9-19H2,2H3;2-7H,1H3;3-4H,1-2H2;2*1H3;;8*1H2/q;;;;;;2*-1;+2;;;;;;;;/t30-,31-;25-,26-;23-,25-;21-,22-;;;;;;;;;;;;;/m0000............./s1
• InChIKey: JGJCEKOCBQSBNU-KYCOHXTKSA-N
• XLogP: 22.87
• TPSA: 371.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 32
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3053.37
LogP ≤ 5	22.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;carbanide;1-[(2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;palladium(2+);prop-2-enoyl prop-2-enoate;sulfane?

The IUPAC name of benzyl (2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;carbanide;1-[(2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;palladium(2+);prop-2-enoyl prop-2-enoate;sulfane (CID 158908639) is benzyl (2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;carbanide;1-[(2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;palladium(2+);prop-2-enoyl prop-2-enoate;sulfane.

What is the SMILES notation for benzyl (2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;carbanide;1-[(2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;palladium(2+);prop-2-enoyl prop-2-enoate;sulfane?

The canonical SMILES for benzyl (2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;carbanide;1-[(2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;palladium(2+);prop-2-enoyl prop-2-enoate;sulfane is C=CC(=O)OC(=O)C=C.Cc1ccc2cccc(OS(=O)(=O)C(F)(F)F)c2c1.S.S.S.S.S.S.S.S.[C-]#[N+]C[C@@H]1CCCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(C)cc24)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(C)cc24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(C)cc24)C3)CCN1C(=O)OCc1ccccc1.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCNC3)CCN1C(=O)OCc1ccccc1.[CH3-].[CH3-].[Pd+2].

What is the InChIKey of benzyl (2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;carbanide;1-[(2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;palladium(2+);prop-2-enoyl prop-2-enoate;sulfane?

The InChIKey is JGJCEKOCBQSBNU-KYCOHXTKSA-N. The full InChI is InChI=1S/C38H43N7O3.C33H39N7O2.C31H38N6O.C27H35N7O3.C12H9F3O3S.C6H6O3.2CH3.Pd.8H2S/c1-27-14-15-29-11-7-13-35(33(29)21-27)43-18-16-32-34(24-43)40-37(47-26-30-12-8-17-42(30)3)41-36(32)44-19-20-45(31(23-44)22-39-2)38(46)48-25-28-9-5-4-6-10-28;1-5-31(41)40-17-16-39(20-26(40)19-34-3)32-27-13-15-38(30-10-6-8-24-12-11-23(2)18-28(24)30)21-29(27)35-33(36-32)42-22-25-9-7-14-37(25)4;1-22-11-12-24-8-4-10-29(27(24)17-22)36-16-13-26-28(20-36)33-31(38-21-25-9-6-14-35(25)3)34-30(26)37-15-5-7-23(19-37)18-32-2;1-28-15-22-17-33(13-14-34(22)27(35)37-18-20-7-4-3-5-8-20)25-23-10-11-29-16-24(23)30-26(31-25)36-19-21-9-6-12-32(21)2;1-8-5-6-9-3-2-4-11(10(9)7-8)18-19(16,17)12(13,14)15;1-3-5(7)9-6(8)4-2;;;;;;;;;;;/h4-7,9-11,13-15,21,30-31H,8,12,16-20,22-26H2,1,3H3;5-6,8,10-12,18,25-26H,1,7,9,13-17,19-22H2,2,4H3;4,8,10-12,17,23,25H,5-7,9,13-16,18-21H2,1,3H3;3-5,7-8,21-22,29H,6,9-19H2,2H3;2-7H,1H3;3-4H,1-2H2;2*1H3;;8*1H2/q;;;;;;2*-1;+2;;;;;;;;/t30-,31-;25-,26-;23-,25-;21-,22-;;;;;;;;;;;;;/m0000............./s1.

What are the key properties of benzyl (2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;carbanide;1-[(2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;palladium(2+);prop-2-enoyl prop-2-enoate;sulfane?

benzyl (2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;carbanide;1-[(2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;palladium(2+);prop-2-enoyl prop-2-enoate;sulfane has a molecular weight of 3053.37 g/mol, XLogP of 22.87, 32 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;benzyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;carbanide;1-[(2R)-2-(isocyanomethyl)-4-[7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(7-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;palladium(2+);prop-2-enoyl prop-2-enoate;sulfane is sourced from PubChem (CID 158908639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).