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

C31H32N4O3 — CID 43856080

IUPAC5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESO=C1c2[nH]nc(-c3ccccc3)c2C(c2ccc(OCc3ccccc3)cc2)N1CCCN1CCOCC1
InChIInChI=1S/C31H32N4O3/c36-31-29-27(28(32-33-29)24-10-5-2-6-11-24)30(35(31)17-7-16-34-18-20-37-21-19-34)25-12-14-26(15-13-25)38-22-23-8-3-1-4-9-23/h1-6,8-15,30H,7,16-22H2,(H,32,33)
InChIKeyWTRGYGJWUQQCBC-UHFFFAOYSA-N
MW508.62 g/mol
LogP4.92
Rot. Bonds9

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

5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43856080) has the molecular formula C31H32N4O3 and a molecular weight of 508.62 g/mol. Its IUPAC name is 5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID43856080
Molecular FormulaC31H32N4O3
Molecular Weight508.62 g/mol
Exact Mass508.25
IUPAC Name5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESO=C1c2[nH]nc(-c3ccccc3)c2C(c2ccc(OCc3ccccc3)cc2)N1CCCN1CCOCC1
InChIInChI=1S/C31H32N4O3/c36-31-29-27(28(32-33-29)24-10-5-2-6-11-24)30(35(31)17-7-16-34-18-20-37-21-19-34)25-12-14-26(15-13-25)38-22-23-8-3-1-4-9-23/h1-6,8-15,30H,7,16-22H2,(H,32,33)
InChIKeyWTRGYGJWUQQCBC-UHFFFAOYSA-N
XLogP4.92
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.62
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-butoxyphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855885
3,4-bis(4-methoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858510
5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855258
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-(4-bromophenyl)-3-(4-methylphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856764
4-(4-butoxyphenyl)-3-(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858030
4-(4-bromophenyl)-3-(4-chlorophenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857823
4-(4-butoxy-3-ethoxyphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855939
4-(3-fluorophenyl)-3-(4-methoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858929
3-(4-methylphenyl)-5-(3-morpholin-4-ylpropyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856343
3-phenyl-4-(4-phenylmethoxyphenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856076
3-phenyl-4-(4-phenylmethoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856072

Frequently Asked Questions

What is the IUPAC name of 5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43856080) is 5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is O=C1c2[nH]nc(-c3ccccc3)c2C(c2ccc(OCc3ccccc3)cc2)N1CCCN1CCOCC1.
What is the InChIKey of 5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is WTRGYGJWUQQCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O3/c36-31-29-27(28(32-33-29)24-10-5-2-6-11-24)30(35(31)17-7-16-34-18-20-37-21-19-34)25-12-14-26(15-13-25)38-22-23-8-3-1-4-9-23/h1-6,8-15,30H,7,16-22H2,(H,32,33).
What are the key properties of 5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 508.62 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43856080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).