(4S)-3-methyl-5-(2-morpholin-4-ylethyl)-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C18H22N4O2 — CID 26433298

IUPAC(4S)-3-methyl-5-(2-morpholin-4-ylethyl)-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1[nH]nc2c1[C@H](c1ccccc1)N(CCN1CCOCC1)C2=O
InChIInChI=1S/C18H22N4O2/c1-13-15-16(20-19-13)18(23)22(8-7-21-9-11-24-12-10-21)17(15)14-5-3-2-4-6-14/h2-6,17H,7-12H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyMKGQRZURBGZPEY-KRWDZBQOSA-N
MW326.40 g/mol
LogP1.60
Rot. Bonds4

About (4S)-3-methyl-5-(2-morpholin-4-ylethyl)-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

(4S)-3-methyl-5-(2-morpholin-4-ylethyl)-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 26433298) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (4S)-3-methyl-5-(2-morpholin-4-ylethyl)-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name(4S)-3-methyl-5-(2-morpholin-4-ylethyl)-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID26433298
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(4S)-3-methyl-5-(2-morpholin-4-ylethyl)-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1[nH]nc2c1[C@H](c1ccccc1)N(CCN1CCOCC1)C2=O
InChIInChI=1S/C18H22N4O2/c1-13-15-16(20-19-13)18(23)22(8-7-21-9-11-24-12-10-21)17(15)14-5-3-2-4-6-14/h2-6,17H,7-12H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyMKGQRZURBGZPEY-KRWDZBQOSA-N
XLogP1.60
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
4-(3-hydroxyphenyl)-3-methyl-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 23608258
5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855258
4-(4-bromophenyl)-3-(4-methylphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856764
3-(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857394
3-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857868
4-(3-butoxyphenyl)-3-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856944
4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858896
5-(3-morpholin-4-ylpropyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856080
3-(4-methylphenyl)-5-(3-morpholin-4-ylpropyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856343
4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-phenylpyrrolidine-2,3-dione
CID 3676925
3,4-bis(4-methoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858510

Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-5-(2-morpholin-4-ylethyl)-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of (4S)-3-methyl-5-(2-morpholin-4-ylethyl)-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 26433298) is (4S)-3-methyl-5-(2-morpholin-4-ylethyl)-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for (4S)-3-methyl-5-(2-morpholin-4-ylethyl)-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for (4S)-3-methyl-5-(2-morpholin-4-ylethyl)-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is Cc1[nH]nc2c1[C@H](c1ccccc1)N(CCN1CCOCC1)C2=O.
What is the InChIKey of (4S)-3-methyl-5-(2-morpholin-4-ylethyl)-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is MKGQRZURBGZPEY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-15-16(20-19-13)18(23)22(8-7-21-9-11-24-12-10-21)17(15)14-5-3-2-4-6-14/h2-6,17H,7-12H2,1H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (4S)-3-methyl-5-(2-morpholin-4-ylethyl)-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
(4S)-3-methyl-5-(2-morpholin-4-ylethyl)-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 326.40 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-5-(2-morpholin-4-ylethyl)-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 26433298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).