tert-butyl 4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;6-fluoronaphthalen-1-ol;7-(6-fluoronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-[4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;bis((6-fluoronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane

C158H183F12N27O19S6 — CID 162174607

About tert-butyl 4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;6-fluoronaphthalen-1-ol;7-(6-fluoronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-[4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;bis((6-fluoronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane

tert-butyl 4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;6-fluoronaphthalen-1-ol;7-(6-fluoronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-[4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;bis((6-fluoronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane (PubChem CID 162174607) has the molecular formula C158H183F12N27O19S6 and a molecular weight of 3184.75 g/mol. Its IUPAC name is tert-butyl 4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;6-fluoronaphthalen-1-ol;7-(6-fluoronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-[4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;bis((6-fluoronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane.

Molecular Properties

• Compound Name: tert-butyl 4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;6-fluoronaphthalen-1-ol;7-(6-fluoronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-[4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;bis((6-fluoronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane
• PubChem CID: 162174607
• Molecular Formula: C158H183F12N27O19S6
• Molecular Weight: 3184.75 g/mol
• Exact Mass: 3182.23
• IUPAC Name: tert-butyl 4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;6-fluoronaphthalen-1-ol;7-(6-fluoronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-[4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;bis((6-fluoronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane
• SMILES: C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cc(F)ccc24)C3)CC1CC#N.C=CC(=O)OC(=O)C=C.O=S(=O)(Oc1cccc2cc(F)ccc12)C(F)(F)F.O=S(=O)(Oc1cccc2cc(F)ccc12)C(F)(F)F.Oc1cccc2cc(F)ccc12.S.S.S.S.[C-]#[N+]CC1CCCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cc(F)ccc24)C3)C1.[C-]#[N+]CC1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cc(F)ccc24)C3)CCN1C(=O)OC(C)(C)C.[C-]#[N+]CC1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCNC3)CCN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C34H42FN7O3.C32H36FN7O2.C30H35FN6O.C24H37N7O3.2C11H6F4O3S.C10H7FO.C6H6O3.4H2S/c1-34(2,3)45-33(43)42-17-16-41(20-26(42)19-36-4)31-28-13-15-40(30-10-6-8-23-18-24(35)11-12-27(23)30)21-29(28)37-32(38-31)44-22-25-9-7-14-39(25)5;1-3-30(41)40-17-16-39(19-24(40)11-13-34)31-27-12-15-38(29-8-4-6-22-18-23(33)9-10-26(22)29)20-28(27)35-32(36-31)42-21-25-7-5-14-37(25)2;1-32-17-21-6-4-14-37(18-21)29-26-12-15-36(28-9-3-7-22-16-23(31)10-11-25(22)28)19-27(26)33-30(34-29)38-20-24-8-5-13-35(24)2;1-24(2,3)34-23(32)31-12-11-30(15-18(31)13-25-4)21-19-8-9-26-14-20(19)27-22(28-21)33-16-17-7-6-10-29(17)5;2*12-8-4-5-9-7(6-8)2-1-3-10(9)18-19(16,17)11(13,14)15;11-8-4-5-9-7(6-8)2-1-3-10(9)12;1-3-5(7)9-6(8)4-2;;;;/h6,8,10-12,18,25-26H,7,9,13-17,19-22H2,1-3,5H3;3-4,6,8-10,18,24-25H,1,5,7,11-12,14-17,19-21H2,2H3;3,7,9-11,16,21,24H,4-6,8,12-15,17-20H2,2H3;17-18,26H,6-16H2,1-3,5H3;2*1-6H;1-6,12H;3-4H,1-2H2;4*1H2/t25-,26?;24?,25-;21?,24-;17-,18?;;;;;;;;/m0000......../s1
• InChIKey: ZOFLZRHPNNATNG-XPLSJJJJSA-N
• XLogP: 25.93
• TPSA: 454.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 40
• Rotatable Bonds: 30
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3184.75
LogP ≤ 5	25.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	40

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 tert-butyl 4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;6-fluoronaphthalen-1-ol;7-(6-fluoronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-[4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;bis((6-fluoronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane?

The IUPAC name of tert-butyl 4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;6-fluoronaphthalen-1-ol;7-(6-fluoronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-[4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;bis((6-fluoronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane (CID 162174607) is tert-butyl 4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;6-fluoronaphthalen-1-ol;7-(6-fluoronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-[4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;bis((6-fluoronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane.

What is the SMILES notation for tert-butyl 4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;6-fluoronaphthalen-1-ol;7-(6-fluoronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-[4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;bis((6-fluoronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane?

The canonical SMILES for tert-butyl 4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;6-fluoronaphthalen-1-ol;7-(6-fluoronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-[4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;bis((6-fluoronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane is C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cc(F)ccc24)C3)CC1CC#N.C=CC(=O)OC(=O)C=C.O=S(=O)(Oc1cccc2cc(F)ccc12)C(F)(F)F.O=S(=O)(Oc1cccc2cc(F)ccc12)C(F)(F)F.Oc1cccc2cc(F)ccc12.S.S.S.S.[C-]#[N+]CC1CCCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cc(F)ccc24)C3)C1.[C-]#[N+]CC1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cc(F)ccc24)C3)CCN1C(=O)OC(C)(C)C.[C-]#[N+]CC1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCNC3)CCN1C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl 4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;6-fluoronaphthalen-1-ol;7-(6-fluoronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-[4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;bis((6-fluoronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane?

The InChIKey is ZOFLZRHPNNATNG-XPLSJJJJSA-N. The full InChI is InChI=1S/C34H42FN7O3.C32H36FN7O2.C30H35FN6O.C24H37N7O3.2C11H6F4O3S.C10H7FO.C6H6O3.4H2S/c1-34(2,3)45-33(43)42-17-16-41(20-26(42)19-36-4)31-28-13-15-40(30-10-6-8-23-18-24(35)11-12-27(23)30)21-29(28)37-32(38-31)44-22-25-9-7-14-39(25)5;1-3-30(41)40-17-16-39(19-24(40)11-13-34)31-27-12-15-38(29-8-4-6-22-18-23(33)9-10-26(22)29)20-28(27)35-32(36-31)42-21-25-7-5-14-37(25)2;1-32-17-21-6-4-14-37(18-21)29-26-12-15-36(28-9-3-7-22-16-23(31)10-11-25(22)28)19-27(26)33-30(34-29)38-20-24-8-5-13-35(24)2;1-24(2,3)34-23(32)31-12-11-30(15-18(31)13-25-4)21-19-8-9-26-14-20(19)27-22(28-21)33-16-17-7-6-10-29(17)5;2*12-8-4-5-9-7(6-8)2-1-3-10(9)18-19(16,17)11(13,14)15;11-8-4-5-9-7(6-8)2-1-3-10(9)12;1-3-5(7)9-6(8)4-2;;;;/h6,8,10-12,18,25-26H,7,9,13-17,19-22H2,1-3,5H3;3-4,6,8-10,18,24-25H,1,5,7,11-12,14-17,19-21H2,2H3;3,7,9-11,16,21,24H,4-6,8,12-15,17-20H2,2H3;17-18,26H,6-16H2,1-3,5H3;2*1-6H;1-6,12H;3-4H,1-2H2;4*1H2/t25-,26?;24?,25-;21?,24-;17-,18?;;;;;;;;/m0000......../s1.

What are the key properties of tert-butyl 4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;6-fluoronaphthalen-1-ol;7-(6-fluoronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-[4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;bis((6-fluoronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane?

tert-butyl 4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;6-fluoronaphthalen-1-ol;7-(6-fluoronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-[4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;bis((6-fluoronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane has a molecular weight of 3184.75 g/mol, XLogP of 25.93, 30 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;6-fluoronaphthalen-1-ol;7-(6-fluoronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-[4-[7-(6-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;bis((6-fluoronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane is sourced from PubChem (CID 162174607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).