3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C26H29ClN4O4 — CID 43857480

IUPAC3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(C2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2CCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C26H29ClN4O4/c1-33-19-8-9-20(21(16-19)34-2)25-22-23(17-4-6-18(27)7-5-17)28-29-24(22)26(32)31(25)11-3-10-30-12-14-35-15-13-30/h4-9,16,25H,3,10-15H2,1-2H3,(H,28,29)
InChIKeyDEBZRIVXSRYNNX-UHFFFAOYSA-N
MW497.00 g/mol
LogP4.01
Rot. Bonds8

About 3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43857480) has the molecular formula C26H29ClN4O4 and a molecular weight of 497.00 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID43857480
Molecular FormulaC26H29ClN4O4
Molecular Weight497.00 g/mol
Exact Mass496.19
IUPAC Name3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(C2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2CCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C26H29ClN4O4/c1-33-19-8-9-20(21(16-19)34-2)25-22-23(17-4-6-18(27)7-5-17)28-29-24(22)26(32)31(25)11-3-10-30-12-14-35-15-13-30/h4-9,16,25H,3,10-15H2,1-2H3,(H,28,29)
InChIKeyDEBZRIVXSRYNNX-UHFFFAOYSA-N
XLogP4.01
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.00
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857484
4-(3-fluorophenyl)-3-(4-methoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858929
3-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858251
4-(2-chlorophenyl)-3-(4-methylphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856606
4-(4-butoxyphenyl)-3-(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858030
3-(4-chlorophenyl)-5-(3-morpholin-4-ylpropyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857401
4-(4-bromophenyl)-3-(4-chlorophenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857823
4-(2,4-dimethoxyphenyl)-5-(2-methoxyethyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856425
(5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2,4-dimethoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 28557699
4-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-[(4-methylphenyl)methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858570
4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858896

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43857480) is 3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1ccc(C2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2CCCN2CCOCC2)c(OC)c1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is DEBZRIVXSRYNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O4/c1-33-19-8-9-20(21(16-19)34-2)25-22-23(17-4-6-18(27)7-5-17)28-29-24(22)26(32)31(25)11-3-10-30-12-14-35-15-13-30/h4-9,16,25H,3,10-15H2,1-2H3,(H,28,29).
What are the key properties of 3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 497.00 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43857480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).