tert-butyl 4-[7-(7-chloronaphthalen-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;7-chloro-3,4-dihydro-2H-naphthalen-1-one;(7-chloro-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate;7-(7-chloronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[4-[7-(7-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;bis((7-chloronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane

C169H193Cl7F9N27O22S7 — CID 158099851

About tert-butyl 4-[7-(7-chloronaphthalen-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;7-chloro-3,4-dihydro-2H-naphthalen-1-one;(7-chloro-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate;7-(7-chloronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[4-[7-(7-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;bis((7-chloronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane

tert-butyl 4-[7-(7-chloronaphthalen-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;7-chloro-3,4-dihydro-2H-naphthalen-1-one;(7-chloro-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate;7-(7-chloronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[4-[7-(7-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;bis((7-chloronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane (PubChem CID 158099851) has the molecular formula C169H193Cl7F9N27O22S7 and a molecular weight of 3598.19 g/mol. Its IUPAC name is tert-butyl 4-[7-(7-chloronaphthalen-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;7-chloro-3,4-dihydro-2H-naphthalen-1-one;(7-chloro-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate;7-(7-chloronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[4-[7-(7-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;bis((7-chloronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane.

Molecular Properties

• Compound Name: tert-butyl 4-[7-(7-chloronaphthalen-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;7-chloro-3,4-dihydro-2H-naphthalen-1-one;(7-chloro-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate;7-(7-chloronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[4-[7-(7-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;bis((7-chloronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane
• PubChem CID: 158099851
• Molecular Formula: C169H193Cl7F9N27O22S7
• Molecular Weight: 3598.19 g/mol
• Exact Mass: 3592.05
• IUPAC Name: tert-butyl 4-[7-(7-chloronaphthalen-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;7-chloro-3,4-dihydro-2H-naphthalen-1-one;(7-chloro-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate;7-(7-chloronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[4-[7-(7-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;bis((7-chloronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane
• SMILES: C=CC(=O)OC(=O)C=C.O=C1CCCc2ccc(Cl)cc21.O=S(=O)(OC1=CCCc2ccc(Cl)cc21)C(F)(F)F.O=S(=O)(Oc1cccc2ccc(Cl)cc12)C(F)(F)F.O=S(=O)(Oc1cccc2ccc(Cl)cc12)C(F)(F)F.S.S.S.S.[C-]#[N+]CC1CCCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(Cl)cc24)C3)C1.[C-]#[N+]CC1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(Cl)cc24)C3)CCN1C(=O)C=C.[C-]#[N+]CC1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(Cl)cc24)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/C34H42ClN7O3.C32H36ClN7O2.C30H35ClN6O.C24H37N7O3.C11H8ClF3O3S.2C11H6ClF3O3S.C10H9ClO.C6H6O3.4H2S/c1-34(2,3)45-33(43)42-17-16-41(20-26(42)19-36-4)31-27-13-15-40(30-10-6-8-23-11-12-24(35)18-28(23)30)21-29(27)37-32(38-31)44-22-25-9-7-14-39(25)5;1-4-30(41)40-16-15-39(19-25(40)18-34-2)31-26-12-14-38(29-9-5-7-22-10-11-23(33)17-27(22)29)20-28(26)35-32(36-31)42-21-24-8-6-13-37(24)3;1-32-17-21-6-4-14-37(18-21)29-25-12-15-36(28-9-3-7-22-10-11-23(31)16-26(22)28)19-27(25)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;3*12-8-5-4-7-2-1-3-10(9(7)6-8)18-19(16,17)11(13,14)15;11-8-5-4-7-2-1-3-10(12)9(7)6-8;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;4-5,7,9-11,17,24-25H,1,6,8,12-16,18-21H2,3H3;3,7,9-11,16,21,24H,4-6,8,12-15,17-20H2,2H3;17-18,26H,6-16H2,1-3,5H3;3-6H,1-2H2;2*1-6H;4-6H,1-3H2;3-4H,1-2H2;4*1H2/t25-,26?;24-,25?;21?,24-;17-,18?;;;;;;;;;/m0000........./s1
• InChIKey: FPCSTYBQPOWTJJ-YQCGFXPZSA-N
• XLogP: 32.18
• TPSA: 475.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 42
• Rotatable Bonds: 32
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3598.19
LogP ≤ 5	32.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	42

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-(7-chloronaphthalen-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;7-chloro-3,4-dihydro-2H-naphthalen-1-one;(7-chloro-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate;7-(7-chloronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[4-[7-(7-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;bis((7-chloronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane?

The IUPAC name of tert-butyl 4-[7-(7-chloronaphthalen-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;7-chloro-3,4-dihydro-2H-naphthalen-1-one;(7-chloro-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate;7-(7-chloronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[4-[7-(7-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;bis((7-chloronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane (CID 158099851) is tert-butyl 4-[7-(7-chloronaphthalen-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;7-chloro-3,4-dihydro-2H-naphthalen-1-one;(7-chloro-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate;7-(7-chloronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[4-[7-(7-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;bis((7-chloronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane.

What is the SMILES notation for tert-butyl 4-[7-(7-chloronaphthalen-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;7-chloro-3,4-dihydro-2H-naphthalen-1-one;(7-chloro-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate;7-(7-chloronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[4-[7-(7-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;bis((7-chloronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane?

The canonical SMILES for tert-butyl 4-[7-(7-chloronaphthalen-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;7-chloro-3,4-dihydro-2H-naphthalen-1-one;(7-chloro-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate;7-(7-chloronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[4-[7-(7-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;bis((7-chloronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane is C=CC(=O)OC(=O)C=C.O=C1CCCc2ccc(Cl)cc21.O=S(=O)(OC1=CCCc2ccc(Cl)cc21)C(F)(F)F.O=S(=O)(Oc1cccc2ccc(Cl)cc12)C(F)(F)F.O=S(=O)(Oc1cccc2ccc(Cl)cc12)C(F)(F)F.S.S.S.S.[C-]#[N+]CC1CCCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(Cl)cc24)C3)C1.[C-]#[N+]CC1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(Cl)cc24)C3)CCN1C(=O)C=C.[C-]#[N+]CC1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(Cl)cc24)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-(7-chloronaphthalen-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;7-chloro-3,4-dihydro-2H-naphthalen-1-one;(7-chloro-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate;7-(7-chloronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[4-[7-(7-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;bis((7-chloronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane?

The InChIKey is FPCSTYBQPOWTJJ-YQCGFXPZSA-N. The full InChI is InChI=1S/C34H42ClN7O3.C32H36ClN7O2.C30H35ClN6O.C24H37N7O3.C11H8ClF3O3S.2C11H6ClF3O3S.C10H9ClO.C6H6O3.4H2S/c1-34(2,3)45-33(43)42-17-16-41(20-26(42)19-36-4)31-27-13-15-40(30-10-6-8-23-11-12-24(35)18-28(23)30)21-29(27)37-32(38-31)44-22-25-9-7-14-39(25)5;1-4-30(41)40-16-15-39(19-25(40)18-34-2)31-26-12-14-38(29-9-5-7-22-10-11-23(33)17-27(22)29)20-28(26)35-32(36-31)42-21-24-8-6-13-37(24)3;1-32-17-21-6-4-14-37(18-21)29-25-12-15-36(28-9-3-7-22-10-11-23(31)16-26(22)28)19-27(25)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;3*12-8-5-4-7-2-1-3-10(9(7)6-8)18-19(16,17)11(13,14)15;11-8-5-4-7-2-1-3-10(12)9(7)6-8;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;4-5,7,9-11,17,24-25H,1,6,8,12-16,18-21H2,3H3;3,7,9-11,16,21,24H,4-6,8,12-15,17-20H2,2H3;17-18,26H,6-16H2,1-3,5H3;3-6H,1-2H2;2*1-6H;4-6H,1-3H2;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-(7-chloronaphthalen-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;7-chloro-3,4-dihydro-2H-naphthalen-1-one;(7-chloro-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate;7-(7-chloronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[4-[7-(7-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;bis((7-chloronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane?

tert-butyl 4-[7-(7-chloronaphthalen-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;7-chloro-3,4-dihydro-2H-naphthalen-1-one;(7-chloro-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate;7-(7-chloronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[4-[7-(7-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;bis((7-chloronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane has a molecular weight of 3598.19 g/mol, XLogP of 32.18, 32 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[7-(7-chloronaphthalen-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;7-chloro-3,4-dihydro-2H-naphthalen-1-one;(7-chloro-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate;7-(7-chloronaphthalen-1-yl)-4-[3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[4-[7-(7-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;bis((7-chloronaphthalen-1-yl) trifluoromethanesulfonate);prop-2-enoyl prop-2-enoate;sulfane is sourced from PubChem (CID 158099851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).