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

C32H33ClN4O4 — CID 43858251

IUPAC3-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cc(C2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1
InChIInChI=1S/C32H33ClN4O4/c1-39-27-20-24(10-13-26(27)41-21-22-6-3-2-4-7-22)31-28-29(23-8-11-25(33)12-9-23)34-35-30(28)32(38)37(31)15-5-14-36-16-18-40-19-17-36/h2-4,6-13,20,31H,5,14-19,21H2,1H3,(H,34,35)
InChIKeyXVJAGBDMWBJGOW-UHFFFAOYSA-N
MW573.09 g/mol
LogP5.59
Rot. Bonds10

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

3-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43858251) has the molecular formula C32H33ClN4O4 and a molecular weight of 573.09 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID43858251
Molecular FormulaC32H33ClN4O4
Molecular Weight573.09 g/mol
Exact Mass572.22
IUPAC Name3-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cc(C2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1
InChIInChI=1S/C32H33ClN4O4/c1-39-27-20-24(10-13-26(27)41-21-22-6-3-2-4-7-22)31-28-29(23-8-11-25(33)12-9-23)34-35-30(28)32(38)37(31)15-5-14-36-16-18-40-19-17-36/h2-4,6-13,20,31H,5,14-19,21H2,1H3,(H,34,35)
InChIKeyXVJAGBDMWBJGOW-UHFFFAOYSA-N
XLogP5.59
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.09
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856080
3-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858261
4-(3-methoxy-4-phenylmethoxyphenyl)-3-phenyl-5-(2-phenylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856108
3-(4-chlorophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858228
3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857480
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
3,4-bis(4-methoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858510
5-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43859334
3-(4-chlorophenyl)-5-cyclohexyl-4-(3-methoxy-4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858257
5-(3-imidazol-1-ylpropyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857179
5-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43859343

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 3-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43858251) is 3-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1cc(C2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is XVJAGBDMWBJGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClN4O4/c1-39-27-20-24(10-13-26(27)41-21-22-6-3-2-4-7-22)31-28-29(23-8-11-25(33)12-9-23)34-35-30(28)32(38)37(31)15-5-14-36-16-18-40-19-17-36/h2-4,6-13,20,31H,5,14-19,21H2,1H3,(H,34,35).
What are the key properties of 3-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
3-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 573.09 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43858251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).