1-(3-ethoxyphenyl)-4-(4-fluorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,3,4-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,5-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,6-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one

C74H33F19N8O9 — CID 158688205

IUPAC1-(3-ethoxyphenyl)-4-(4-fluorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,3,4-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,5-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,6-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one
SMILESCCOc1cccc(-c2[nH]c(O)c3c2C(=O)N=C3c2ccc(F)cc2)c1.O=C1N=C(c2c(F)cc(F)cc2F)c2c(O)[nH]c(-c3c(F)cc(F)cc3F)c21.O=C1N=C(c2cc(F)c(F)cc2F)c2c(O)[nH]c(-c3cc(F)c(F)cc3F)c21.O=C1N=C(c2ccc(F)c(F)c2F)c2c(O)[nH]c(-c3ccc(F)c(F)c3F)c21
InChIInChI=1S/C20H15FN2O3.3C18H6F6N2O2/c1-2-26-14-5-3-4-12(10-14)18-16-15(19(24)23-18)17(22-20(16)25)11-6-8-13(21)9-7-11;19-7-3-11(23)9(21)1-5(7)15-13-14(18(28)25-15)16(26-17(13)27)6-2-10(22)12(24)4-8(6)20;19-5-1-7(21)11(8(22)2-5)15-13-14(18(28)25-15)16(26-17(13)27)12-9(23)3-6(20)4-10(12)24;19-7-3-1-5(11(21)13(7)23)15-9-10(18(28)25-15)16(26-17(9)27)6-2-4-8(20)14(24)12(6)22/h3-10,23-24H,2H2,1H3;3*1-4,25,28H
InChIKeyHXYBCAIOGHYOBW-UHFFFAOYSA-N
MW1539.09 g/mol
LogP16.56
Rot. Bonds10

About 1-(3-ethoxyphenyl)-4-(4-fluorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,3,4-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,5-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,6-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one

1-(3-ethoxyphenyl)-4-(4-fluorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,3,4-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,5-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,6-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one (PubChem CID 158688205) has the molecular formula C74H33F19N8O9 and a molecular weight of 1539.09 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-4-(4-fluorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,3,4-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,5-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,6-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-4-(4-fluorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,3,4-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,5-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,6-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one
PubChem CID158688205
Molecular FormulaC74H33F19N8O9
Molecular Weight1539.09 g/mol
Exact Mass1538.21
IUPAC Name1-(3-ethoxyphenyl)-4-(4-fluorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,3,4-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,5-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,6-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one
SMILESCCOc1cccc(-c2[nH]c(O)c3c2C(=O)N=C3c2ccc(F)cc2)c1.O=C1N=C(c2c(F)cc(F)cc2F)c2c(O)[nH]c(-c3c(F)cc(F)cc3F)c21.O=C1N=C(c2cc(F)c(F)cc2F)c2c(O)[nH]c(-c3cc(F)c(F)cc3F)c21.O=C1N=C(c2ccc(F)c(F)c2F)c2c(O)[nH]c(-c3ccc(F)c(F)c3F)c21
InChIInChI=1S/C20H15FN2O3.3C18H6F6N2O2/c1-2-26-14-5-3-4-12(10-14)18-16-15(19(24)23-18)17(22-20(16)25)11-6-8-13(21)9-7-11;19-7-3-11(23)9(21)1-5(7)15-13-14(18(28)25-15)16(26-17(13)27)6-2-10(22)12(24)4-8(6)20;19-5-1-7(21)11(8(22)2-5)15-13-14(18(28)25-15)16(26-17(13)27)12-9(23)3-6(20)4-10(12)24;19-7-3-1-5(11(21)13(7)23)15-9-10(18(28)25-15)16(26-17(9)27)6-2-4-8(20)14(24)12(6)22/h3-10,23-24H,2H2,1H3;3*1-4,25,28H
InChIKeyHXYBCAIOGHYOBW-UHFFFAOYSA-N
XLogP16.56
TPSA271.03 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001539.09
LogP ≤ 516.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(3-ethoxyphenyl)-4-(4-fluorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,3,4-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,5-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,6-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-4-(4-fluorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,3,4-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,5-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,6-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one?
The IUPAC name of 1-(3-ethoxyphenyl)-4-(4-fluorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,3,4-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,5-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,6-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one (CID 158688205) is 1-(3-ethoxyphenyl)-4-(4-fluorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,3,4-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,5-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,6-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one.
What is the SMILES notation for 1-(3-ethoxyphenyl)-4-(4-fluorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,3,4-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,5-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,6-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one?
The canonical SMILES for 1-(3-ethoxyphenyl)-4-(4-fluorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,3,4-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,5-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,6-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one is CCOc1cccc(-c2[nH]c(O)c3c2C(=O)N=C3c2ccc(F)cc2)c1.O=C1N=C(c2c(F)cc(F)cc2F)c2c(O)[nH]c(-c3c(F)cc(F)cc3F)c21.O=C1N=C(c2cc(F)c(F)cc2F)c2c(O)[nH]c(-c3cc(F)c(F)cc3F)c21.O=C1N=C(c2ccc(F)c(F)c2F)c2c(O)[nH]c(-c3ccc(F)c(F)c3F)c21.
What is the InChIKey of 1-(3-ethoxyphenyl)-4-(4-fluorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,3,4-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,5-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,6-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one?
The InChIKey is HXYBCAIOGHYOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3.3C18H6F6N2O2/c1-2-26-14-5-3-4-12(10-14)18-16-15(19(24)23-18)17(22-20(16)25)11-6-8-13(21)9-7-11;19-7-3-11(23)9(21)1-5(7)15-13-14(18(28)25-15)16(26-17(13)27)6-2-10(22)12(24)4-8(6)20;19-5-1-7(21)11(8(22)2-5)15-13-14(18(28)25-15)16(26-17(13)27)12-9(23)3-6(20)4-10(12)24;19-7-3-1-5(11(21)13(7)23)15-9-10(18(28)25-15)16(26-17(9)27)6-2-4-8(20)14(24)12(6)22/h3-10,23-24H,2H2,1H3;3*1-4,25,28H.
What are the key properties of 1-(3-ethoxyphenyl)-4-(4-fluorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,3,4-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,5-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,6-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one?
1-(3-ethoxyphenyl)-4-(4-fluorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,3,4-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,5-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,6-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one has a molecular weight of 1539.09 g/mol, XLogP of 16.56, 10 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-4-(4-fluorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,3,4-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,5-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,6-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one is sourced from PubChem (CID 158688205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).