3-(furan-2-yl)-4-(2-methoxyphenyl)-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C26H19N3O3S — CID 58365870

IUPAC3-(furan-2-yl)-4-(2-methoxyphenyl)-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2-c2ccco2)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C26H19N3O3S/c1-31-20-6-3-2-5-19(20)25-22-23(21-7-4-13-32-21)27-28-24(22)26(30)29(25)18-10-8-16(9-11-18)17-12-14-33-15-17/h2-15,25H,1H3,(H,27,28)
InChIKeyCFAHOOMYUWGZCG-UHFFFAOYSA-N
MW453.52 g/mol
LogP6.16
Rot. Bonds5

About 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

3-(furan-2-yl)-4-(2-methoxyphenyl)-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58365870) has the molecular formula C26H19N3O3S and a molecular weight of 453.52 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-(furan-2-yl)-4-(2-methoxyphenyl)-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58365870
Molecular FormulaC26H19N3O3S
Molecular Weight453.52 g/mol
Exact Mass453.11
IUPAC Name3-(furan-2-yl)-4-(2-methoxyphenyl)-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2-c2ccco2)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C26H19N3O3S/c1-31-20-6-3-2-5-19(20)25-22-23(21-7-4-13-32-21)27-28-24(22)26(30)29(25)18-10-8-16(9-11-18)17-12-14-33-15-17/h2-15,25H,1H3,(H,27,28)
InChIKeyCFAHOOMYUWGZCG-UHFFFAOYSA-N
XLogP6.16
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.52
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58365870) is 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ccccc1C1c2c(n[nH]c2-c2ccco2)C(=O)N1c1ccc(-c2ccsc2)cc1.
What is the InChIKey of 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is CFAHOOMYUWGZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O3S/c1-31-20-6-3-2-5-19(20)25-22-23(21-7-4-13-32-21)27-28-24(22)26(30)29(25)18-10-8-16(9-11-18)17-12-14-33-15-17/h2-15,25H,1H3,(H,27,28).
What are the key properties of 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
3-(furan-2-yl)-4-(2-methoxyphenyl)-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 453.52 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58365870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).