5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C27H32N4O2 — CID 43855258

IUPAC5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCC(C)c1ccc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2CCCN2CCOCC2)cc1
InChIInChI=1S/C27H32N4O2/c1-19(2)20-9-11-22(12-10-20)26-23-24(21-7-4-3-5-8-21)28-29-25(23)27(32)31(26)14-6-13-30-15-17-33-18-16-30/h3-5,7-12,19,26H,6,13-18H2,1-2H3,(H,28,29)
InChIKeyDOZYACCBJLTCRT-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.47
Rot. Bonds7

About 5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43855258) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID43855258
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCC(C)c1ccc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2CCCN2CCOCC2)cc1
InChIInChI=1S/C27H32N4O2/c1-19(2)20-9-11-22(12-10-20)26-23-24(21-7-4-3-5-8-21)28-29-25(23)27(32)31(26)14-6-13-30-15-17-33-18-16-30/h3-5,7-12,19,26H,6,13-18H2,1-2H3,(H,28,29)
InChIKeyDOZYACCBJLTCRT-UHFFFAOYSA-N
XLogP4.47
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43855258) is 5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is CC(C)c1ccc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2CCCN2CCOCC2)cc1.
What is the InChIKey of 5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is DOZYACCBJLTCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-19(2)20-9-11-22(12-10-20)26-23-24(21-7-4-3-5-8-21)28-29-25(23)27(32)31(26)14-6-13-30-15-17-33-18-16-30/h3-5,7-12,19,26H,6,13-18H2,1-2H3,(H,28,29).
What are the key properties of 5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 444.58 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43855258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).