7-[2-chloroethoxy(propoxy)methyl]-8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-1-propylpurine-2,6-dione;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl bicyclo[1.1.0]butane-1-carboxylate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl butanoate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propyl carbonate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propylsulfanylformate;8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-7-(1-propan-2-yloxypropyl)-1-propylpurine-2,6-dione;methane

C174H217ClF12N36O24S — CID 160761448

About 7-[2-chloroethoxy(propoxy)methyl]-8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-1-propylpurine-2,6-dione;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl bicyclo[1.1.0]butane-1-carboxylate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl butanoate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propyl carbonate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propylsulfanylformate;8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-7-(1-propan-2-yloxypropyl)-1-propylpurine-2,6-dione;methane

7-[2-chloroethoxy(propoxy)methyl]-8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-1-propylpurine-2,6-dione;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl bicyclo[1.1.0]butane-1-carboxylate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl butanoate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propyl carbonate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propylsulfanylformate;8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-7-(1-propan-2-yloxypropyl)-1-propylpurine-2,6-dione;methane (PubChem CID 160761448) has the molecular formula C174H217ClF12N36O24S and a molecular weight of 3492.37 g/mol. Its IUPAC name is 7-[2-chloroethoxy(propoxy)methyl]-8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-1-propylpurine-2,6-dione;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl bicyclo[1.1.0]butane-1-carboxylate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl butanoate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propyl carbonate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propylsulfanylformate;8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-7-(1-propan-2-yloxypropyl)-1-propylpurine-2,6-dione;methane.

Molecular Properties

• Compound Name: 7-[2-chloroethoxy(propoxy)methyl]-8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-1-propylpurine-2,6-dione;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl bicyclo[1.1.0]butane-1-carboxylate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl butanoate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propyl carbonate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propylsulfanylformate;8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-7-(1-propan-2-yloxypropyl)-1-propylpurine-2,6-dione;methane
• PubChem CID: 160761448
• Molecular Formula: C174H217ClF12N36O24S
• Molecular Weight: 3492.37 g/mol
• Exact Mass: 3489.61
• IUPAC Name: 7-[2-chloroethoxy(propoxy)methyl]-8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-1-propylpurine-2,6-dione;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl bicyclo[1.1.0]butane-1-carboxylate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl butanoate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propyl carbonate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propylsulfanylformate;8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-7-(1-propan-2-yloxypropyl)-1-propylpurine-2,6-dione;methane
• SMILES: C.CCCC(=O)OC(CC)n1c(-c2cnn(Cc3cccc(C(C)(F)F)c3)c2)nc2c1c(=O)n(CCC)c(=O)n2CC.CCCOC(=O)OC(CC)n1c(-c2cnn(Cc3cccc(C(C)(F)F)c3)c2)nc2c1c(=O)n(CCC)c(=O)n2CC.CCCOC(OCCCl)n1c(-c2cnn(Cc3cccc(C(C)(F)F)c3)c2)nc2c1c(=O)n(CCC)c(=O)n2CC.CCCSC(=O)OC(CC)n1c(-c2cnn(Cc3cccc(C(C)(F)F)c3)c2)nc2c1c(=O)n(CCC)c(=O)n2CC.CCCn1c(=O)c2c(nc(-c3cnn(Cc4cccc(C(C)(F)F)c4)c3)n2C(CC)OC(=O)C23CC2C3)n(CC)c1=O.CCCn1c(=O)c2c(nc(-c3cnn(Cc4cccc(C(C)(F)F)c4)c3)n2C(CC)OC(C)C)n(CC)c1=O
• InChI: InChI=1S/C30H34F2N6O4.C29H36F2N6O5.C29H36F2N6O4S.C29H36F2N6O4.C28H35ClF2N6O4.C28H36F2N6O3.CH4/c1-5-11-37-26(39)23-25(36(7-3)28(37)41)34-24(38(23)22(6-2)42-27(40)30-13-21(30)14-30)19-15-33-35(17-19)16-18-9-8-10-20(12-18)29(4,31)32;1-6-13-36-26(38)23-25(35(9-4)27(36)39)33-24(37(23)22(8-3)42-28(40)41-14-7-2)20-16-32-34(18-20)17-19-11-10-12-21(15-19)29(5,30)31;1-6-13-36-26(38)23-25(35(9-4)27(36)39)33-24(37(23)22(8-3)41-28(40)42-14-7-2)20-16-32-34(18-20)17-19-11-10-12-21(15-19)29(5,30)31;1-6-11-23(38)41-22(8-3)37-24-26(35(9-4)28(40)36(14-7-2)27(24)39)33-25(37)20-16-32-34(18-20)17-19-12-10-13-21(15-19)29(5,30)31;1-5-12-36-25(38)22-24(35(7-3)26(36)39)33-23(37(22)27(40-13-6-2)41-14-11-29)20-16-32-34(18-20)17-19-9-8-10-21(15-19)28(4,30)31;1-7-13-35-26(37)23-25(34(9-3)27(35)38)32-24(36(23)22(8-2)39-18(4)5)20-15-31-33(17-20)16-19-11-10-12-21(14-19)28(6,29)30;/h8-10,12,15,17,21-22H,5-7,11,13-14,16H2,1-4H3;2*10-12,15-16,18,22H,6-9,13-14,17H2,1-5H3;10,12-13,15-16,18,22H,6-9,11,14,17H2,1-5H3;8-10,15-16,18,27H,5-7,11-14,17H2,1-4H3;10-12,14-15,17-18,22H,7-9,13,16H2,1-6H3;1H4
• InChIKey: RYCVZAJZUQHHNE-UHFFFAOYSA-N
• XLogP: 31.76
• TPSA: 619.96 Ų
• H-Bond Acceptors: 61
• Rotatable Bonds: 72
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3492.37
LogP ≤ 5	31.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	61

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[2-chloroethoxy(propoxy)methyl]-8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-1-propylpurine-2,6-dione;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl bicyclo[1.1.0]butane-1-carboxylate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl butanoate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propyl carbonate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propylsulfanylformate;8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-7-(1-propan-2-yloxypropyl)-1-propylpurine-2,6-dione;methane?

The IUPAC name of 7-[2-chloroethoxy(propoxy)methyl]-8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-1-propylpurine-2,6-dione;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl bicyclo[1.1.0]butane-1-carboxylate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl butanoate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propyl carbonate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propylsulfanylformate;8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-7-(1-propan-2-yloxypropyl)-1-propylpurine-2,6-dione;methane (CID 160761448) is 7-[2-chloroethoxy(propoxy)methyl]-8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-1-propylpurine-2,6-dione;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl bicyclo[1.1.0]butane-1-carboxylate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl butanoate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propyl carbonate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propylsulfanylformate;8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-7-(1-propan-2-yloxypropyl)-1-propylpurine-2,6-dione;methane.

What is the SMILES notation for 7-[2-chloroethoxy(propoxy)methyl]-8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-1-propylpurine-2,6-dione;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl bicyclo[1.1.0]butane-1-carboxylate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl butanoate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propyl carbonate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propylsulfanylformate;8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-7-(1-propan-2-yloxypropyl)-1-propylpurine-2,6-dione;methane?

The canonical SMILES for 7-[2-chloroethoxy(propoxy)methyl]-8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-1-propylpurine-2,6-dione;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl bicyclo[1.1.0]butane-1-carboxylate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl butanoate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propyl carbonate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propylsulfanylformate;8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-7-(1-propan-2-yloxypropyl)-1-propylpurine-2,6-dione;methane is C.CCCC(=O)OC(CC)n1c(-c2cnn(Cc3cccc(C(C)(F)F)c3)c2)nc2c1c(=O)n(CCC)c(=O)n2CC.CCCOC(=O)OC(CC)n1c(-c2cnn(Cc3cccc(C(C)(F)F)c3)c2)nc2c1c(=O)n(CCC)c(=O)n2CC.CCCOC(OCCCl)n1c(-c2cnn(Cc3cccc(C(C)(F)F)c3)c2)nc2c1c(=O)n(CCC)c(=O)n2CC.CCCSC(=O)OC(CC)n1c(-c2cnn(Cc3cccc(C(C)(F)F)c3)c2)nc2c1c(=O)n(CCC)c(=O)n2CC.CCCn1c(=O)c2c(nc(-c3cnn(Cc4cccc(C(C)(F)F)c4)c3)n2C(CC)OC(=O)C23CC2C3)n(CC)c1=O.CCCn1c(=O)c2c(nc(-c3cnn(Cc4cccc(C(C)(F)F)c4)c3)n2C(CC)OC(C)C)n(CC)c1=O.

What is the InChIKey of 7-[2-chloroethoxy(propoxy)methyl]-8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-1-propylpurine-2,6-dione;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl bicyclo[1.1.0]butane-1-carboxylate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl butanoate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propyl carbonate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propylsulfanylformate;8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-7-(1-propan-2-yloxypropyl)-1-propylpurine-2,6-dione;methane?

The InChIKey is RYCVZAJZUQHHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F2N6O4.C29H36F2N6O5.C29H36F2N6O4S.C29H36F2N6O4.C28H35ClF2N6O4.C28H36F2N6O3.CH4/c1-5-11-37-26(39)23-25(36(7-3)28(37)41)34-24(38(23)22(6-2)42-27(40)30-13-21(30)14-30)19-15-33-35(17-19)16-18-9-8-10-20(12-18)29(4,31)32;1-6-13-36-26(38)23-25(35(9-4)27(36)39)33-24(37(23)22(8-3)42-28(40)41-14-7-2)20-16-32-34(18-20)17-19-11-10-12-21(15-19)29(5,30)31;1-6-13-36-26(38)23-25(35(9-4)27(36)39)33-24(37(23)22(8-3)41-28(40)42-14-7-2)20-16-32-34(18-20)17-19-11-10-12-21(15-19)29(5,30)31;1-6-11-23(38)41-22(8-3)37-24-26(35(9-4)28(40)36(14-7-2)27(24)39)33-25(37)20-16-32-34(18-20)17-19-12-10-13-21(15-19)29(5,30)31;1-5-12-36-25(38)22-24(35(7-3)26(36)39)33-23(37(22)27(40-13-6-2)41-14-11-29)20-16-32-34(18-20)17-19-9-8-10-21(15-19)28(4,30)31;1-7-13-35-26(37)23-25(34(9-3)27(35)38)32-24(36(23)22(8-2)39-18(4)5)20-15-31-33(17-20)16-19-11-10-12-21(14-19)28(6,29)30;/h8-10,12,15,17,21-22H,5-7,11,13-14,16H2,1-4H3;2*10-12,15-16,18,22H,6-9,13-14,17H2,1-5H3;10,12-13,15-16,18,22H,6-9,11,14,17H2,1-5H3;8-10,15-16,18,27H,5-7,11-14,17H2,1-4H3;10-12,14-15,17-18,22H,7-9,13,16H2,1-6H3;1H4.

What are the key properties of 7-[2-chloroethoxy(propoxy)methyl]-8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-1-propylpurine-2,6-dione;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl bicyclo[1.1.0]butane-1-carboxylate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl butanoate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propyl carbonate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propylsulfanylformate;8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-7-(1-propan-2-yloxypropyl)-1-propylpurine-2,6-dione;methane?

7-[2-chloroethoxy(propoxy)methyl]-8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-1-propylpurine-2,6-dione;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl bicyclo[1.1.0]butane-1-carboxylate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl butanoate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propyl carbonate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propylsulfanylformate;8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-7-(1-propan-2-yloxypropyl)-1-propylpurine-2,6-dione;methane has a molecular weight of 3492.37 g/mol, XLogP of 31.76, 72 rotatable bonds, 0 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-chloroethoxy(propoxy)methyl]-8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-1-propylpurine-2,6-dione;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl bicyclo[1.1.0]butane-1-carboxylate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl butanoate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propyl carbonate;1-[8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-2,6-dioxo-1-propylpurin-7-yl]propyl propylsulfanylformate;8-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]pyrazol-4-yl]-3-ethyl-7-(1-propan-2-yloxypropyl)-1-propylpurine-2,6-dione;methane is sourced from PubChem (CID 160761448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).