2-[4-[3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-4-yl]phenoxy]acetamide

C27H24N4O5 — CID 135675228

IUPAC2-[4-[3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-4-yl]phenoxy]acetamide
SMILESCOc1ccc(CN2C(=O)c3[nH]nc(-c4ccccc4O)c3C2c2ccc(OCC(N)=O)cc2)cc1
InChIInChI=1S/C27H24N4O5/c1-35-18-10-6-16(7-11-18)14-31-26(17-8-12-19(13-9-17)36-15-22(28)33)23-24(29-30-25(23)27(31)34)20-4-2-3-5-21(20)32/h2-13,26,32H,14-15H2,1H3,(H2,28,33)(H,29,30)
InChIKeyUOIHARNTOZKIIF-UHFFFAOYSA-N
MW484.51 g/mol
LogP3.40
Rot. Bonds8

About 2-[4-[3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-4-yl]phenoxy]acetamide

2-[4-[3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-4-yl]phenoxy]acetamide (PubChem CID 135675228) has the molecular formula C27H24N4O5 and a molecular weight of 484.51 g/mol. Its IUPAC name is 2-[4-[3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-4-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-4-yl]phenoxy]acetamide
PubChem CID135675228
Molecular FormulaC27H24N4O5
Molecular Weight484.51 g/mol
Exact Mass484.17
IUPAC Name2-[4-[3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-4-yl]phenoxy]acetamide
SMILESCOc1ccc(CN2C(=O)c3[nH]nc(-c4ccccc4O)c3C2c2ccc(OCC(N)=O)cc2)cc1
InChIInChI=1S/C27H24N4O5/c1-35-18-10-6-16(7-11-18)14-31-26(17-8-12-19(13-9-17)36-15-22(28)33)23-24(29-30-25(23)27(31)34)20-4-2-3-5-21(20)32/h2-13,26,32H,14-15H2,1H3,(H2,28,33)(H,29,30)
InChIKeyUOIHARNTOZKIIF-UHFFFAOYSA-N
XLogP3.40
TPSA130.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[5-[(4-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-4-yl]phenoxy]acetamide
CID 135675339
(4R)-4-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 136784006
3-(5-chloro-2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-4-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135670080
(4S)-4-(4-ethylphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 136767437
5-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135675302
3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135587268
3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-ethoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135587251
methyl 4-[(4R)-3-(2-hydroxyphenyl)-6-oxo-5-(pyridin-4-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-4-yl]benzoate
CID 136810897
(4R)-3-(2-hydroxyphenyl)-4-(4-methoxyphenyl)-5-(3-propan-2-yloxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 136902877
(4R)-4-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-4-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 136783792
3-(2-hydroxyphenyl)-4-(4-methoxyphenyl)-5-(3-propan-2-yloxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135555151
5-benzyl-3-(2-hydroxy-3,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135586308

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-4-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-4-yl]phenoxy]acetamide (CID 135675228) is 2-[4-[3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-4-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-4-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-4-yl]phenoxy]acetamide is COc1ccc(CN2C(=O)c3[nH]nc(-c4ccccc4O)c3C2c2ccc(OCC(N)=O)cc2)cc1.
What is the InChIKey of 2-[4-[3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-4-yl]phenoxy]acetamide?
The InChIKey is UOIHARNTOZKIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O5/c1-35-18-10-6-16(7-11-18)14-31-26(17-8-12-19(13-9-17)36-15-22(28)33)23-24(29-30-25(23)27(31)34)20-4-2-3-5-21(20)32/h2-13,26,32H,14-15H2,1H3,(H2,28,33)(H,29,30).
What are the key properties of 2-[4-[3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-4-yl]phenoxy]acetamide?
2-[4-[3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-4-yl]phenoxy]acetamide has a molecular weight of 484.51 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-hydroxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-4-yl]phenoxy]acetamide is sourced from PubChem (CID 135675228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).