1,5-bis(2-methoxyphenyl)-4,6-dioxo-N-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxamide

C26H22N4O5 — CID 3793116

IUPAC1,5-bis(2-methoxyphenyl)-4,6-dioxo-N-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxamide
SMILESCOc1ccccc1N1C(=O)C2C(C(=O)Nc3ccccc3)=NN(c3ccccc3OC)C2C1=O
InChIInChI=1S/C26H22N4O5/c1-34-19-14-8-6-12-17(19)29-25(32)21-22(24(31)27-16-10-4-3-5-11-16)28-30(23(21)26(29)33)18-13-7-9-15-20(18)35-2/h3-15,21,23H,1-2H3,(H,27,31)
InChIKeyMMGRKZZHYXNAEZ-UHFFFAOYSA-N
MW470.49 g/mol
LogP3.08
Rot. Bonds6

About 1,5-bis(2-methoxyphenyl)-4,6-dioxo-N-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxamide

1,5-bis(2-methoxyphenyl)-4,6-dioxo-N-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxamide (PubChem CID 3793116) has the molecular formula C26H22N4O5 and a molecular weight of 470.49 g/mol. Its IUPAC name is 1,5-bis(2-methoxyphenyl)-4,6-dioxo-N-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-bis(2-methoxyphenyl)-4,6-dioxo-N-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxamide
PubChem CID3793116
Molecular FormulaC26H22N4O5
Molecular Weight470.49 g/mol
Exact Mass470.16
IUPAC Name1,5-bis(2-methoxyphenyl)-4,6-dioxo-N-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxamide
SMILESCOc1ccccc1N1C(=O)C2C(C(=O)Nc3ccccc3)=NN(c3ccccc3OC)C2C1=O
InChIInChI=1S/C26H22N4O5/c1-34-19-14-8-6-12-17(19)29-25(32)21-22(24(31)27-16-10-4-3-5-11-16)28-30(23(21)26(29)33)18-13-7-9-15-20(18)35-2/h3-15,21,23H,1-2H3,(H,27,31)
InChIKeyMMGRKZZHYXNAEZ-UHFFFAOYSA-N
XLogP3.08
TPSA100.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2-methoxyphenyl)-4,6-dioxo-N-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxamide?
The IUPAC name of 1,5-bis(2-methoxyphenyl)-4,6-dioxo-N-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxamide (CID 3793116) is 1,5-bis(2-methoxyphenyl)-4,6-dioxo-N-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-bis(2-methoxyphenyl)-4,6-dioxo-N-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-bis(2-methoxyphenyl)-4,6-dioxo-N-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxamide is COc1ccccc1N1C(=O)C2C(C(=O)Nc3ccccc3)=NN(c3ccccc3OC)C2C1=O.
What is the InChIKey of 1,5-bis(2-methoxyphenyl)-4,6-dioxo-N-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxamide?
The InChIKey is MMGRKZZHYXNAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O5/c1-34-19-14-8-6-12-17(19)29-25(32)21-22(24(31)27-16-10-4-3-5-11-16)28-30(23(21)26(29)33)18-13-7-9-15-20(18)35-2/h3-15,21,23H,1-2H3,(H,27,31).
What are the key properties of 1,5-bis(2-methoxyphenyl)-4,6-dioxo-N-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxamide?
1,5-bis(2-methoxyphenyl)-4,6-dioxo-N-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxamide has a molecular weight of 470.49 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2-methoxyphenyl)-4,6-dioxo-N-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 3793116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).