9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methylamino]-7-methyl-6-(5-methylfuran-2-yl)purin-8-one;(7Z)-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;bis(1-methoxy-4-methylbenzene);2-[(4-methoxyphenyl)methylamino]-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C89H83F7N13O13S+ — CID 158922599

IUPAC9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methylamino]-7-methyl-6-(5-methylfuran-2-yl)purin-8-one;(7Z)-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;bis(1-methoxy-4-methylbenzene);2-[(4-methoxyphenyl)methylamino]-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1ccc(C)cc1.COc1ccc(C)cc1.COc1ccc(CNc2nc(-c3ccc(C)o3)c3c(n2)N(Cc2ccccc2C(F)(F)F)C(=O)C3)cc1.COc1ccc(CNc2nc(-c3ccc(C)o3)c3c(n2)n(Cc2ccc(F)cc2C(F)(F)F)c(=O)n3C)cc1.Cc1ccc(-c2nc(S(C)(=O)=O)nc3c2C(=O)N(C)/C3=C\c2cc[n+](O)cc2)o1
InChIInChI=1S/C27H23F4N5O3.C27H23F3N4O3.C19H17N4O5S.2C8H10O/c1-15-4-11-21(39-15)22-23-24(34-25(33-22)32-13-16-5-9-19(38-3)10-6-16)36(26(37)35(23)2)14-17-7-8-18(28)12-20(17)27(29,30)31;1-16-7-12-22(37-16)24-20-13-23(35)34(15-18-5-3-4-6-21(18)27(28,29)30)25(20)33-26(32-24)31-14-17-8-10-19(36-2)11-9-17;1-11-4-5-14(28-11)17-15-16(20-19(21-17)29(3,26)27)13(22(2)18(15)24)10-12-6-8-23(25)9-7-12;2*1-7-3-5-8(9-2)6-4-7/h4-12H,13-14H2,1-3H3,(H,32,33,34);3-12H,13-15H2,1-2H3,(H,31,32,33);4-10,25H,1-3H3;2*3-6H,1-2H3/q;;+1;;
InChIKeyIBXWCKORWITJOV-UHFFFAOYSA-N
MW1707.77 g/mol
LogP16.86
Rot. Bonds19

About 9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methylamino]-7-methyl-6-(5-methylfuran-2-yl)purin-8-one;(7Z)-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;bis(1-methoxy-4-methylbenzene);2-[(4-methoxyphenyl)methylamino]-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methylamino]-7-methyl-6-(5-methylfuran-2-yl)purin-8-one;(7Z)-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;bis(1-methoxy-4-methylbenzene);2-[(4-methoxyphenyl)methylamino]-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 158922599) has the molecular formula C89H83F7N13O13S+ and a molecular weight of 1707.77 g/mol. Its IUPAC name is 9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methylamino]-7-methyl-6-(5-methylfuran-2-yl)purin-8-one;(7Z)-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;bis(1-methoxy-4-methylbenzene);2-[(4-methoxyphenyl)methylamino]-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methylamino]-7-methyl-6-(5-methylfuran-2-yl)purin-8-one;(7Z)-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;bis(1-methoxy-4-methylbenzene);2-[(4-methoxyphenyl)methylamino]-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID158922599
Molecular FormulaC89H83F7N13O13S+
Molecular Weight1707.77 g/mol
Exact Mass1706.58
IUPAC Name9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methylamino]-7-methyl-6-(5-methylfuran-2-yl)purin-8-one;(7Z)-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;bis(1-methoxy-4-methylbenzene);2-[(4-methoxyphenyl)methylamino]-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1ccc(C)cc1.COc1ccc(C)cc1.COc1ccc(CNc2nc(-c3ccc(C)o3)c3c(n2)N(Cc2ccccc2C(F)(F)F)C(=O)C3)cc1.COc1ccc(CNc2nc(-c3ccc(C)o3)c3c(n2)n(Cc2ccc(F)cc2C(F)(F)F)c(=O)n3C)cc1.Cc1ccc(-c2nc(S(C)(=O)=O)nc3c2C(=O)N(C)/C3=C\c2cc[n+](O)cc2)o1
InChIInChI=1S/C27H23F4N5O3.C27H23F3N4O3.C19H17N4O5S.2C8H10O/c1-15-4-11-21(39-15)22-23-24(34-25(33-22)32-13-16-5-9-19(38-3)10-6-16)36(26(37)35(23)2)14-17-7-8-18(28)12-20(17)27(29,30)31;1-16-7-12-22(37-16)24-20-13-23(35)34(15-18-5-3-4-6-21(18)27(28,29)30)25(20)33-26(32-24)31-14-17-8-10-19(36-2)11-9-17;1-11-4-5-14(28-11)17-15-16(20-19(21-17)29(3,26)27)13(22(2)18(15)24)10-12-6-8-23(25)9-7-12;2*1-7-3-5-8(9-2)6-4-7/h4-12H,13-14H2,1-3H3,(H,32,33,34);3-12H,13-15H2,1-2H3,(H,31,32,33);4-10,25H,1-3H3;2*3-6H,1-2H3/q;;+1;;
InChIKeyIBXWCKORWITJOV-UHFFFAOYSA-N
XLogP16.86
TPSA303.54 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001707.77
LogP ≤ 516.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methylamino]-7-methyl-6-(5-methylfuran-2-yl)purin-8-one;(7Z)-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;bis(1-methoxy-4-methylbenzene);2-[(4-methoxyphenyl)methylamino]-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

2-[bis[(4-methoxyphenyl)methyl]amino]-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl-methylamino]-7-methyl-6-(5-methylfuran-2-yl)purin-8-one
CID 157641233
4-[4-[[2-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;2-(1,1-difluoroethyl)-4-(4-fluorophenyl)-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-1H-imidazole-5-carboxamide;4-[4-[[5-(4-fluorophenyl)-1-methyl-2-methylsulfonylimidazole-4-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 157833950
CID 158132660
CID 158132660
(7Z)-7-[(2-fluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one;(7Z)-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonyl-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one
CID 158523641
2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(5-methylfuran-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(2-[bis[(4-methoxyphenyl)methyl]amino]-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(5-methylfuran-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one)
CID 158878055
2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(1-hydroxypyridin-1-ium-4-yl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;methane
CID 159344195
(7Z)-7-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one;(7Z)-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonyl-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one
CID 159677366
(7Z)-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methyl-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2-fluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one
CID 160215656
potassium;(7Z)-2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one;deuteriomethanethiol;4-fluoro-2-(trifluoromethoxy)benzaldehyde;(7Z)-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfanylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;hydride
CID 160242267
2-chloro-7-[[2-(difluoromethoxy)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;9-[(2-fluorophenyl)methyl]-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-7-methylpurin-8-one;7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-5H-pyrrolo[2,3-d]pyrimidin-6-one;(7Z)-7-[(2-fluorophenyl)methylidene]-4-(furan-2-yl)-6-methyl-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one
CID 160250453
2-[bis[(4-methoxyphenyl)methyl]amino]-9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-7-methyl-6-(5-methylfuran-2-yl)purin-8-one;2-[bis[(4-methoxyphenyl)methyl]amino]-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 161273579
(7Z)-2-amino-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,7-dimethyl-6-(5-methylfuran-2-yl)purin-8-one
CID 161828521

Frequently Asked Questions

What is the IUPAC name of 9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methylamino]-7-methyl-6-(5-methylfuran-2-yl)purin-8-one;(7Z)-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;bis(1-methoxy-4-methylbenzene);2-[(4-methoxyphenyl)methylamino]-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methylamino]-7-methyl-6-(5-methylfuran-2-yl)purin-8-one;(7Z)-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;bis(1-methoxy-4-methylbenzene);2-[(4-methoxyphenyl)methylamino]-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 158922599) is 9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methylamino]-7-methyl-6-(5-methylfuran-2-yl)purin-8-one;(7Z)-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;bis(1-methoxy-4-methylbenzene);2-[(4-methoxyphenyl)methylamino]-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methylamino]-7-methyl-6-(5-methylfuran-2-yl)purin-8-one;(7Z)-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;bis(1-methoxy-4-methylbenzene);2-[(4-methoxyphenyl)methylamino]-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methylamino]-7-methyl-6-(5-methylfuran-2-yl)purin-8-one;(7Z)-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;bis(1-methoxy-4-methylbenzene);2-[(4-methoxyphenyl)methylamino]-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is COc1ccc(C)cc1.COc1ccc(C)cc1.COc1ccc(CNc2nc(-c3ccc(C)o3)c3c(n2)N(Cc2ccccc2C(F)(F)F)C(=O)C3)cc1.COc1ccc(CNc2nc(-c3ccc(C)o3)c3c(n2)n(Cc2ccc(F)cc2C(F)(F)F)c(=O)n3C)cc1.Cc1ccc(-c2nc(S(C)(=O)=O)nc3c2C(=O)N(C)/C3=C\c2cc[n+](O)cc2)o1.
What is the InChIKey of 9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methylamino]-7-methyl-6-(5-methylfuran-2-yl)purin-8-one;(7Z)-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;bis(1-methoxy-4-methylbenzene);2-[(4-methoxyphenyl)methylamino]-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is IBXWCKORWITJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F4N5O3.C27H23F3N4O3.C19H17N4O5S.2C8H10O/c1-15-4-11-21(39-15)22-23-24(34-25(33-22)32-13-16-5-9-19(38-3)10-6-16)36(26(37)35(23)2)14-17-7-8-18(28)12-20(17)27(29,30)31;1-16-7-12-22(37-16)24-20-13-23(35)34(15-18-5-3-4-6-21(18)27(28,29)30)25(20)33-26(32-24)31-14-17-8-10-19(36-2)11-9-17;1-11-4-5-14(28-11)17-15-16(20-19(21-17)29(3,26)27)13(22(2)18(15)24)10-12-6-8-23(25)9-7-12;2*1-7-3-5-8(9-2)6-4-7/h4-12H,13-14H2,1-3H3,(H,32,33,34);3-12H,13-15H2,1-2H3,(H,31,32,33);4-10,25H,1-3H3;2*3-6H,1-2H3/q;;+1;;.
What are the key properties of 9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methylamino]-7-methyl-6-(5-methylfuran-2-yl)purin-8-one;(7Z)-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;bis(1-methoxy-4-methylbenzene);2-[(4-methoxyphenyl)methylamino]-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methylamino]-7-methyl-6-(5-methylfuran-2-yl)purin-8-one;(7Z)-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;bis(1-methoxy-4-methylbenzene);2-[(4-methoxyphenyl)methylamino]-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 1707.77 g/mol, XLogP of 16.86, 19 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methylamino]-7-methyl-6-(5-methylfuran-2-yl)purin-8-one;(7Z)-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;bis(1-methoxy-4-methylbenzene);2-[(4-methoxyphenyl)methylamino]-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 158922599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).