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

C24H20N4O3 — CID 135546768

IUPAC3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cccc(C2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1
InChIInChI=1S/C24H20N4O3/c1-31-17-8-4-7-16(12-17)23-20-21(18-9-2-3-10-19(18)29)26-27-22(20)24(30)28(23)14-15-6-5-11-25-13-15/h2-13,23,29H,14H2,1H3,(H,26,27)
InChIKeyCFXWCVUCLKVAEH-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.93
Rot. Bonds5

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

3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 135546768) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID135546768
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cccc(C2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1
InChIInChI=1S/C24H20N4O3/c1-31-17-8-4-7-16(12-17)23-20-21(18-9-2-3-10-19(18)29)26-27-22(20)24(30)28(23)14-15-6-5-11-25-13-15/h2-13,23,29H,14H2,1H3,(H,26,27)
InChIKeyCFXWCVUCLKVAEH-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

3-(2-(Benzyloxy)phenyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9560074
N'-(2-HO-3-Meo-benzylidene)-3-(1-ME-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 135497984
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 54582156
4-(2-Methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 58045088
(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 159914326
5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 666598
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-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
CID 4860002
4-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
CID 4885650
3-(5-Chloro-2-hydroxy-4-methyl-phenyl)-4-(3-methoxy-phenyl)-5-pyridin-3-ylmethyl-4,5-dihydro-1H-pyrro lo[3,4-c]pyrazol-6-one
CID 4885943
(E)-3-(2-((4-methylbenzyl)oxy)phenyl)-N'-(pyridin-3-ylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6866659

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 135546768) is 3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1cccc(C2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1.
What is the InChIKey of 3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is CFXWCVUCLKVAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-31-17-8-4-7-16(12-17)23-20-21(18-9-2-3-10-19(18)29)26-27-22(20)24(30)28(23)14-15-6-5-11-25-13-15/h2-13,23,29H,14H2,1H3,(H,26,27).
What are the key properties of 3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-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 3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 135546768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).