4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-5-(pyridin-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C24H20N4O3 — CID 56959472

IUPAC4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-5-(pyridin-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2Cc2ccccn2)ccc1O
InChIInChI=1S/C24H20N4O3/c1-31-19-13-16(10-11-18(19)29)23-20-21(15-7-3-2-4-8-15)26-27-22(20)24(30)28(23)14-17-9-5-6-12-25-17/h2-13,23,29H,14H2,1H3,(H,26,27)
InChIKeyJHDSNPANVGUNAN-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.93
Rot. Bonds5

About 4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-5-(pyridin-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-5-(pyridin-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 56959472) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-5-(pyridin-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-5-(pyridin-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID56959472
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-5-(pyridin-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2Cc2ccccn2)ccc1O
InChIInChI=1S/C24H20N4O3/c1-31-19-13-16(10-11-18(19)29)23-20-21(15-7-3-2-4-8-15)26-27-22(20)24(30)28(23)14-17-9-5-6-12-25-17/h2-13,23,29H,14H2,1H3,(H,26,27)
InChIKeyJHDSNPANVGUNAN-UHFFFAOYSA-N
XLogP3.93
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855512
5-benzyl-4-(3,4-dimethoxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855380
5-[(2-chlorophenyl)methyl]-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855510
5-(4-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 3456601
(4S)-4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 51975067
(4R)-4-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-4-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 136783792
4-(3-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-5-[(4-methylphenyl)methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858727
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3-(3-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 51426463
4-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855367
4-(3-methoxy-4-phenylmethoxyphenyl)-3-phenyl-5-(2-phenylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856108
5-[(2-chlorophenyl)methyl]-4-(3-methoxy-4-phenylmethoxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856122
4-(3-ethoxy-4-hydroxyphenyl)-5-(3-imidazol-1-ylpropyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855507

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-5-(pyridin-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-5-(pyridin-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 56959472) is 4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-5-(pyridin-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-5-(pyridin-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-5-(pyridin-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1cc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2Cc2ccccn2)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-5-(pyridin-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is JHDSNPANVGUNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-31-19-13-16(10-11-18(19)29)23-20-21(15-7-3-2-4-8-15)26-27-22(20)24(30)28(23)14-17-9-5-6-12-25-17/h2-13,23,29H,14H2,1H3,(H,26,27).
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-5-(pyridin-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-5-(pyridin-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 412.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-5-(pyridin-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 56959472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).