(2,5-dimethylfuran-3-yl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone

C23H22N4O2 — CID 56724296

IUPAC(2,5-dimethylfuran-3-yl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
SMILESCc1cccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2cc(C)oc2C)C3)c1
InChIInChI=1S/C23H22N4O2/c1-15-7-6-8-18(11-15)27-22(25-9-4-5-10-25)20-13-26(14-21(20)24-27)23(28)19-12-16(2)29-17(19)3/h4-12H,13-14H2,1-3H3
InChIKeyPLRICPJTGPEPAR-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.34
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone

(2,5-dimethylfuran-3-yl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone (PubChem CID 56724296) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
PubChem CID56724296
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name(2,5-dimethylfuran-3-yl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
SMILESCc1cccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2cc(C)oc2C)C3)c1
InChIInChI=1S/C23H22N4O2/c1-15-7-6-8-18(11-15)27-22(25-9-4-5-10-25)20-13-26(14-21(20)24-27)23(28)19-12-16(2)29-17(19)3/h4-12H,13-14H2,1-3H3
InChIKeyPLRICPJTGPEPAR-UHFFFAOYSA-N
XLogP4.34
TPSA56.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone (CID 56724296) is (2,5-dimethylfuran-3-yl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone is Cc1cccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2cc(C)oc2C)C3)c1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone?
The InChIKey is PLRICPJTGPEPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-7-6-8-18(11-15)27-22(25-9-4-5-10-25)20-13-26(14-21(20)24-27)23(28)19-12-16(2)29-17(19)3/h4-12H,13-14H2,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone?
(2,5-dimethylfuran-3-yl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone has a molecular weight of 386.46 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone is sourced from PubChem (CID 56724296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).