1-bromopropane;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3,3-difluoropiperidine;bis(2-(3,3-difluoropiperidin-1-yl)ethanol);3,3-difluoro-1-propylpiperidine;prop-2-enoyl prop-2-enoate;sulfane

C164H217BrCl4F14N30O14S5 — CID 157381369

About 1-bromopropane;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3,3-difluoropiperidine;bis(2-(3,3-difluoropiperidin-1-yl)ethanol);3,3-difluoro-1-propylpiperidine;prop-2-enoyl prop-2-enoate;sulfane

1-bromopropane;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3,3-difluoropiperidine;bis(2-(3,3-difluoropiperidin-1-yl)ethanol);3,3-difluoro-1-propylpiperidine;prop-2-enoyl prop-2-enoate;sulfane (PubChem CID 157381369) has the molecular formula C164H217BrCl4F14N30O14S5 and a molecular weight of 3480.76 g/mol. Its IUPAC name is 1-bromopropane;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3,3-difluoropiperidine;bis(2-(3,3-difluoropiperidin-1-yl)ethanol);3,3-difluoro-1-propylpiperidine;prop-2-enoyl prop-2-enoate;sulfane.

Molecular Properties

• Compound Name: 1-bromopropane;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3,3-difluoropiperidine;bis(2-(3,3-difluoropiperidin-1-yl)ethanol);3,3-difluoro-1-propylpiperidine;prop-2-enoyl prop-2-enoate;sulfane
• PubChem CID: 157381369
• Molecular Formula: C164H217BrCl4F14N30O14S5
• Molecular Weight: 3480.76 g/mol
• Exact Mass: 3475.35
• IUPAC Name: 1-bromopropane;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3,3-difluoropiperidine;bis(2-(3,3-difluoropiperidin-1-yl)ethanol);3,3-difluoro-1-propylpiperidine;prop-2-enoyl prop-2-enoate;sulfane
• SMILES: C=CC(=O)OC(=O)C=C.CCCBr.CCCN1CCCC(F)(F)C1.FC1(F)CCCNC1.OCCN1CCCC(F)(F)C1.OCCN1CCCC(F)(F)C1.S.S.S.S.[C-]#[N+]C[C@@H]1CCCN(c2nc(OCCN3CCCC(F)(F)C3)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(OCCN3CCCC(F)(F)C3)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(OCCN3CCCC(F)(F)C3)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)OC(C)(C)C.[C-]#[N+]C[C@H]1CN(c2nc(S(C)=O)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C35H42ClF2N7O3.C33H36ClF2N7O2.C31H35ClF2N6O.C29H33ClN6O3S.C8H15F2N.2C7H13F2NO.C6H6O3.C5H9F2N.C3H7Br.4H2S/c1-34(2,3)48-33(46)45-17-16-44(21-25(45)20-39-4)31-26-12-15-43(29-11-6-9-24-8-5-10-27(36)30(24)29)22-28(26)40-32(41-31)47-19-18-42-14-7-13-35(37,38)23-42;1-3-29(44)43-16-15-42(20-24(43)19-37-2)31-25-11-14-41(28-10-5-8-23-7-4-9-26(34)30(23)28)21-27(25)38-32(39-31)45-18-17-40-13-6-12-33(35,36)22-40;1-35-18-22-6-4-14-40(19-22)29-24-11-15-39(27-10-3-8-23-7-2-9-25(32)28(23)27)20-26(24)36-30(37-29)41-17-16-38-13-5-12-31(33,34)21-38;1-29(2,3)39-28(37)36-15-14-35(17-20(36)16-31-4)26-21-12-13-34(18-23(21)32-27(33-26)40(5)38)24-11-7-9-19-8-6-10-22(30)25(19)24;1-2-5-11-6-3-4-8(9,10)7-11;2*8-7(9)2-1-3-10(6-7)4-5-11;1-3-5(7)9-6(8)4-2;6-5(7)2-1-3-8-4-5;1-2-3-4;;;;/h5-6,8-11,25H,7,12-23H2,1-3H3;3-5,7-10,24H,1,6,11-22H2;2-3,7-10,22H,4-6,11-21H2;6-11,20H,12-18H2,1-3,5H3;2-7H2,1H3;2*11H,1-6H2;3-4H,1-2H2;8H,1-4H2;2-3H2,1H3;4*1H2/t25-;24-;22-;20-,40?;;;;;;;;;;/m0000........../s1
• InChIKey: BKXPVUKUSMDKGM-WSBPBHETSA-N
• XLogP: 29.62
• TPSA: 385.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 37
• Rotatable Bonds: 35
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3480.76
LogP ≤ 5	29.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-bromopropane;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3,3-difluoropiperidine;bis(2-(3,3-difluoropiperidin-1-yl)ethanol);3,3-difluoro-1-propylpiperidine;prop-2-enoyl prop-2-enoate;sulfane?

The IUPAC name of 1-bromopropane;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3,3-difluoropiperidine;bis(2-(3,3-difluoropiperidin-1-yl)ethanol);3,3-difluoro-1-propylpiperidine;prop-2-enoyl prop-2-enoate;sulfane (CID 157381369) is 1-bromopropane;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3,3-difluoropiperidine;bis(2-(3,3-difluoropiperidin-1-yl)ethanol);3,3-difluoro-1-propylpiperidine;prop-2-enoyl prop-2-enoate;sulfane.

What is the SMILES notation for 1-bromopropane;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3,3-difluoropiperidine;bis(2-(3,3-difluoropiperidin-1-yl)ethanol);3,3-difluoro-1-propylpiperidine;prop-2-enoyl prop-2-enoate;sulfane?

The canonical SMILES for 1-bromopropane;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3,3-difluoropiperidine;bis(2-(3,3-difluoropiperidin-1-yl)ethanol);3,3-difluoro-1-propylpiperidine;prop-2-enoyl prop-2-enoate;sulfane is C=CC(=O)OC(=O)C=C.CCCBr.CCCN1CCCC(F)(F)C1.FC1(F)CCCNC1.OCCN1CCCC(F)(F)C1.OCCN1CCCC(F)(F)C1.S.S.S.S.[C-]#[N+]C[C@@H]1CCCN(c2nc(OCCN3CCCC(F)(F)C3)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(OCCN3CCCC(F)(F)C3)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(OCCN3CCCC(F)(F)C3)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)OC(C)(C)C.[C-]#[N+]C[C@H]1CN(c2nc(S(C)=O)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)OC(C)(C)C.

What is the InChIKey of 1-bromopropane;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3,3-difluoropiperidine;bis(2-(3,3-difluoropiperidin-1-yl)ethanol);3,3-difluoro-1-propylpiperidine;prop-2-enoyl prop-2-enoate;sulfane?

The InChIKey is BKXPVUKUSMDKGM-WSBPBHETSA-N. The full InChI is InChI=1S/C35H42ClF2N7O3.C33H36ClF2N7O2.C31H35ClF2N6O.C29H33ClN6O3S.C8H15F2N.2C7H13F2NO.C6H6O3.C5H9F2N.C3H7Br.4H2S/c1-34(2,3)48-33(46)45-17-16-44(21-25(45)20-39-4)31-26-12-15-43(29-11-6-9-24-8-5-10-27(36)30(24)29)22-28(26)40-32(41-31)47-19-18-42-14-7-13-35(37,38)23-42;1-3-29(44)43-16-15-42(20-24(43)19-37-2)31-25-11-14-41(28-10-5-8-23-7-4-9-26(34)30(23)28)21-27(25)38-32(39-31)45-18-17-40-13-6-12-33(35,36)22-40;1-35-18-22-6-4-14-40(19-22)29-24-11-15-39(27-10-3-8-23-7-2-9-25(32)28(23)27)20-26(24)36-30(37-29)41-17-16-38-13-5-12-31(33,34)21-38;1-29(2,3)39-28(37)36-15-14-35(17-20(36)16-31-4)26-21-12-13-34(18-23(21)32-27(33-26)40(5)38)24-11-7-9-19-8-6-10-22(30)25(19)24;1-2-5-11-6-3-4-8(9,10)7-11;2*8-7(9)2-1-3-10(6-7)4-5-11;1-3-5(7)9-6(8)4-2;6-5(7)2-1-3-8-4-5;1-2-3-4;;;;/h5-6,8-11,25H,7,12-23H2,1-3H3;3-5,7-10,24H,1,6,11-22H2;2-3,7-10,22H,4-6,11-21H2;6-11,20H,12-18H2,1-3,5H3;2-7H2,1H3;2*11H,1-6H2;3-4H,1-2H2;8H,1-4H2;2-3H2,1H3;4*1H2/t25-;24-;22-;20-,40?;;;;;;;;;;/m0000........../s1.

What are the key properties of 1-bromopropane;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3,3-difluoropiperidine;bis(2-(3,3-difluoropiperidin-1-yl)ethanol);3,3-difluoro-1-propylpiperidine;prop-2-enoyl prop-2-enoate;sulfane?

1-bromopropane;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3,3-difluoropiperidine;bis(2-(3,3-difluoropiperidin-1-yl)ethanol);3,3-difluoro-1-propylpiperidine;prop-2-enoyl prop-2-enoate;sulfane has a molecular weight of 3480.76 g/mol, XLogP of 29.62, 35 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromopropane;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;7-(8-chloronaphthalen-1-yl)-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;3,3-difluoropiperidine;bis(2-(3,3-difluoropiperidin-1-yl)ethanol);3,3-difluoro-1-propylpiperidine;prop-2-enoyl prop-2-enoate;sulfane is sourced from PubChem (CID 157381369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).