7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-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;3-(isocyanomethyl)piperidine;2-[4-[7-(7-methylnaphthalen-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;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane

C152H205Cl3F3N33O14S5 — CID 159144920

About 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-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;3-(isocyanomethyl)piperidine;2-[4-[7-(7-methylnaphthalen-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;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane

7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-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;3-(isocyanomethyl)piperidine;2-[4-[7-(7-methylnaphthalen-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;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane (PubChem CID 159144920) has the molecular formula C152H205Cl3F3N33O14S5 and a molecular weight of 3042.22 g/mol. Its IUPAC name is 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-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;3-(isocyanomethyl)piperidine;2-[4-[7-(7-methylnaphthalen-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;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane.

Molecular Properties

• Compound Name: 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-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;3-(isocyanomethyl)piperidine;2-[4-[7-(7-methylnaphthalen-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;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane
• PubChem CID: 159144920
• Molecular Formula: C152H205Cl3F3N33O14S5
• Molecular Weight: 3042.22 g/mol
• Exact Mass: 3038.40
• IUPAC Name: 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-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;3-(isocyanomethyl)piperidine;2-[4-[7-(7-methylnaphthalen-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;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane
• SMILES: C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(C)cc24)C3)CC1CC#N.CN1CCC[C@H]1CO.Cc1ccc2cccc(OS(=O)(=O)C(F)(F)F)c2c1.Clc1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2.S.S.S.S.[C-]#[N+]CC1CCCNC1.[C-]#[N+]CC1CN(c2nc(Cl)nc3c2CCN(Cc2ccccc2)C3)CCN1C(=O)OC(C)(C)C.[C-]#[N+]CC1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(Cc2ccccc2)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/C33H39N7O2.C31H43N7O3.C25H31ClN6O2.C24H37N7O3.C14H13Cl2N3.C12H9F3O3S.C7H12N2.C6H13NO.4H2S/c1-4-31(41)40-18-17-39(20-25(40)12-14-34)32-27-13-16-38(30-9-5-7-24-11-10-23(2)19-28(24)30)21-29(27)35-33(36-32)42-22-26-8-6-15-37(26)3;1-31(2,3)41-30(39)38-17-16-37(20-25(38)18-32-4)28-26-13-15-36(19-23-10-7-6-8-11-23)21-27(26)33-29(34-28)40-22-24-12-9-14-35(24)5;1-25(2,3)34-24(33)32-13-12-31(16-19(32)14-27-4)22-20-10-11-30(15-18-8-6-5-7-9-18)17-21(20)28-23(26)29-22;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;15-13-11-6-7-19(8-10-4-2-1-3-5-10)9-12(11)17-14(16)18-13;1-8-5-6-9-3-2-4-11(10(9)7-8)18-19(16,17)12(13,14)15;1-8-5-7-3-2-4-9-6-7;1-7-4-2-3-6(7)5-8;;;;/h4-5,7,9-11,19,25-26H,1,6,8,12-13,15-18,20-22H2,2-3H3;6-8,10-11,24-25H,9,12-22H2,1-3,5H3;5-9,19H,10-17H2,1-3H3;17-18,26H,6-16H2,1-3,5H3;1-5H,6-9H2;2-7H,1H3;7,9H,2-6H2;6,8H,2-5H2,1H3;4*1H2/t25?,26-;24-,25?;;17-,18?;;;;6-;;;;/m00.0...0..../s1
• InChIKey: KIODRMLFNOPKCK-FTGHIPSWSA-N
• XLogP: 22.06
• TPSA: 433.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 29
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3042.22
LogP ≤ 5	22.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-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;3-(isocyanomethyl)piperidine;2-[4-[7-(7-methylnaphthalen-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;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane?

The IUPAC name of 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-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;3-(isocyanomethyl)piperidine;2-[4-[7-(7-methylnaphthalen-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;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane (CID 159144920) is 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-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;3-(isocyanomethyl)piperidine;2-[4-[7-(7-methylnaphthalen-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;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane.

What is the SMILES notation for 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-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;3-(isocyanomethyl)piperidine;2-[4-[7-(7-methylnaphthalen-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;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane?

The canonical SMILES for 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-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;3-(isocyanomethyl)piperidine;2-[4-[7-(7-methylnaphthalen-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;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane is C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(C)cc24)C3)CC1CC#N.CN1CCC[C@H]1CO.Cc1ccc2cccc(OS(=O)(=O)C(F)(F)F)c2c1.Clc1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2.S.S.S.S.[C-]#[N+]CC1CCCNC1.[C-]#[N+]CC1CN(c2nc(Cl)nc3c2CCN(Cc2ccccc2)C3)CCN1C(=O)OC(C)(C)C.[C-]#[N+]CC1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(Cc2ccccc2)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 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-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;3-(isocyanomethyl)piperidine;2-[4-[7-(7-methylnaphthalen-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;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane?

The InChIKey is KIODRMLFNOPKCK-FTGHIPSWSA-N. The full InChI is InChI=1S/C33H39N7O2.C31H43N7O3.C25H31ClN6O2.C24H37N7O3.C14H13Cl2N3.C12H9F3O3S.C7H12N2.C6H13NO.4H2S/c1-4-31(41)40-18-17-39(20-25(40)12-14-34)32-27-13-16-38(30-9-5-7-24-11-10-23(2)19-28(24)30)21-29(27)35-33(36-32)42-22-26-8-6-15-37(26)3;1-31(2,3)41-30(39)38-17-16-37(20-25(38)18-32-4)28-26-13-15-36(19-23-10-7-6-8-11-23)21-27(26)33-29(34-28)40-22-24-12-9-14-35(24)5;1-25(2,3)34-24(33)32-13-12-31(16-19(32)14-27-4)22-20-10-11-30(15-18-8-6-5-7-9-18)17-21(20)28-23(26)29-22;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;15-13-11-6-7-19(8-10-4-2-1-3-5-10)9-12(11)17-14(16)18-13;1-8-5-6-9-3-2-4-11(10(9)7-8)18-19(16,17)12(13,14)15;1-8-5-7-3-2-4-9-6-7;1-7-4-2-3-6(7)5-8;;;;/h4-5,7,9-11,19,25-26H,1,6,8,12-13,15-18,20-22H2,2-3H3;6-8,10-11,24-25H,9,12-22H2,1-3,5H3;5-9,19H,10-17H2,1-3H3;17-18,26H,6-16H2,1-3,5H3;1-5H,6-9H2;2-7H,1H3;7,9H,2-6H2;6,8H,2-5H2,1H3;4*1H2/t25?,26-;24-,25?;;17-,18?;;;;6-;;;;/m00.0...0..../s1.

What are the key properties of 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-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;3-(isocyanomethyl)piperidine;2-[4-[7-(7-methylnaphthalen-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;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane?

7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-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;3-(isocyanomethyl)piperidine;2-[4-[7-(7-methylnaphthalen-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;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane has a molecular weight of 3042.22 g/mol, XLogP of 22.06, 29 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-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;3-(isocyanomethyl)piperidine;2-[4-[7-(7-methylnaphthalen-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;(7-methylnaphthalen-1-yl) trifluoromethanesulfonate;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane is sourced from PubChem (CID 159144920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).