2-[4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-N,2-dimethylpropanamide

C26H25N5O4 — CID 58365247

IUPAC2-[4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)c1[nH]nc2c1C(c1ccccc1OC)N(c1ccc(-c3ccon3)cc1)C2=O
InChIInChI=1S/C26H25N5O4/c1-26(2,25(33)27-3)23-20-21(28-29-23)24(32)31(22(20)17-7-5-6-8-19(17)34-4)16-11-9-15(10-12-16)18-13-14-35-30-18/h5-14,22H,1-4H3,(H,27,33)(H,28,29)
InChIKeyJVMACEIIAGASHP-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.85
Rot. Bonds6

About 2-[4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-N,2-dimethylpropanamide

2-[4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-N,2-dimethylpropanamide (PubChem CID 58365247) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-N,2-dimethylpropanamide
PubChem CID58365247
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name2-[4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)c1[nH]nc2c1C(c1ccccc1OC)N(c1ccc(-c3ccon3)cc1)C2=O
InChIInChI=1S/C26H25N5O4/c1-26(2,25(33)27-3)23-20-21(28-29-23)24(32)31(22(20)17-7-5-6-8-19(17)34-4)16-11-9-15(10-12-16)18-13-14-35-30-18/h5-14,22H,1-4H3,(H,27,33)(H,28,29)
InChIKeyJVMACEIIAGASHP-UHFFFAOYSA-N
XLogP3.85
TPSA113.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-N,2-dimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-N,2-dimethylpropanamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-N,2-dimethylpropanamide (CID 58365247) is 2-[4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-N,2-dimethylpropanamide is CNC(=O)C(C)(C)c1[nH]nc2c1C(c1ccccc1OC)N(c1ccc(-c3ccon3)cc1)C2=O.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-N,2-dimethylpropanamide?
The InChIKey is JVMACEIIAGASHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-26(2,25(33)27-3)23-20-21(28-29-23)24(32)31(22(20)17-7-5-6-8-19(17)34-4)16-11-9-15(10-12-16)18-13-14-35-30-18/h5-14,22H,1-4H3,(H,27,33)(H,28,29).
What are the key properties of 2-[4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-N,2-dimethylpropanamide?
2-[4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-N,2-dimethylpropanamide has a molecular weight of 471.52 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 58365247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).