4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C24H25BrN4O3 — CID 43858896

IUPAC4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(-c2n[nH]c3c2C(c2ccc(Br)cc2)N(CCN2CCOCC2)C3=O)cc1
InChIInChI=1S/C24H25BrN4O3/c1-31-19-8-4-16(5-9-19)21-20-22(27-26-21)24(30)29(11-10-28-12-14-32-15-13-28)23(20)17-2-6-18(25)7-3-17/h2-9,23H,10-15H2,1H3,(H,26,27)
InChIKeyUMYVHMWTKUNKEJ-UHFFFAOYSA-N
MW497.39 g/mol
LogP3.73
Rot. Bonds6

About 4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43858896) has the molecular formula C24H25BrN4O3 and a molecular weight of 497.39 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID43858896
Molecular FormulaC24H25BrN4O3
Molecular Weight497.39 g/mol
Exact Mass496.11
IUPAC Name4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(-c2n[nH]c3c2C(c2ccc(Br)cc2)N(CCN2CCOCC2)C3=O)cc1
InChIInChI=1S/C24H25BrN4O3/c1-31-19-8-4-16(5-9-19)21-20-22(27-26-21)24(30)29(11-10-28-12-14-32-15-13-28)23(20)17-2-6-18(25)7-3-17/h2-9,23H,10-15H2,1H3,(H,26,27)
InChIKeyUMYVHMWTKUNKEJ-UHFFFAOYSA-N
XLogP3.73
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-bis(4-methoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858510
4-(4-bromophenyl)-3-(4-methylphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856764
4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858916
4-(4-bromophenyl)-3-(4-chlorophenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857823
4-(3-fluorophenyl)-3-(4-methoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858929
4-(4-butoxyphenyl)-3-(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858030
4-(4-butoxyphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855885
3-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857868
5-benzyl-4-(4-bromophenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858920
3-(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857394
(4R)-4-(4-bromophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 94860220
4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858899

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43858896) is 4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1ccc(-c2n[nH]c3c2C(c2ccc(Br)cc2)N(CCN2CCOCC2)C3=O)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is UMYVHMWTKUNKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN4O3/c1-31-19-8-4-16(5-9-19)21-20-22(27-26-21)24(30)29(11-10-28-12-14-32-15-13-28)23(20)17-2-6-18(25)7-3-17/h2-9,23H,10-15H2,1H3,(H,26,27).
What are the key properties of 4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 497.39 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43858896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).