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

C25H21ClN4O3 — CID 4885943

IUPAC3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cccc(C2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1
InChIInChI=1S/C25H21ClN4O3/c1-14-9-20(31)18(11-19(14)26)22-21-23(29-28-22)25(32)30(13-15-5-4-8-27-12-15)24(21)16-6-3-7-17(10-16)33-2/h3-12,24,31H,13H2,1-2H3,(H,28,29)
InChIKeyHCLBEDXJIRRWMK-UHFFFAOYSA-N
MW460.92 g/mol
LogP4.89
Rot. Bonds5

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

3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 4885943) has the molecular formula C25H21ClN4O3 and a molecular weight of 460.92 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID4885943
Molecular FormulaC25H21ClN4O3
Molecular Weight460.92 g/mol
Exact Mass460.13
IUPAC Name3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cccc(C2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1
InChIInChI=1S/C25H21ClN4O3/c1-14-9-20(31)18(11-19(14)26)22-21-23(29-28-22)25(32)30(13-15-5-4-8-27-12-15)24(21)16-6-3-7-17(10-16)33-2/h3-12,24,31H,13H2,1-2H3,(H,28,29)
InChIKeyHCLBEDXJIRRWMK-UHFFFAOYSA-N
XLogP4.89
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.92
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(6-chloro-3-pyridinyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 135951784
3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
CID 666752
(3E)-3-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(3,4-dimethoxyphenyl)-5-(pyridin-3-ylmethyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
CID 666763
3-(3-Methoxyphenyl)-5-propyl-4-(2-pyridyl)-4,5-dihydropyrrolo[3,4-C]pyrazol-6(1H)-one
CID 16014251
4-(3,4-diethoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 135546750
Methyl 4-[3-(2-hydroxyphenyl)-6-oxo-5-(pyridin-3-ylmethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
CID 135546773
4-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-4-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 135546777
4-(4-Ethylphenyl)-3-(2-hydroxy-5-methylphenyl)-5-[(pyridin-3-YL)methyl]-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-6-one
CID 135546748
3-(2-hydroxyphenyl)-5-(pyridin-4-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 4893152
3-(3-Methoxyphenyl)-5-methyl-4-(2-pyridyl)-4,5-dihydropyrrolo[3,4-C]pyrazol-6(1H)-one
CID 16014231
4-(3-ethoxy-4-hydroxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 135546766
3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 135546768

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 4885943) is 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1cccc(C2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1.
What is the InChIKey of 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is HCLBEDXJIRRWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O3/c1-14-9-20(31)18(11-19(14)26)22-21-23(29-28-22)25(32)30(13-15-5-4-8-27-12-15)24(21)16-6-3-7-17(10-16)33-2/h3-12,24,31H,13H2,1-2H3,(H,28,29).
What are the key properties of 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 460.92 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 4885943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).