5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,4-dione

C24H29N5O3 — CID 158787061

IUPAC5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)CC2=O)CCN1c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C24H29N5O3/c1-16-15-28(23(32)7-8-24(19-5-6-19)21(30)12-22(31)27-24)9-10-29(16)20-4-2-3-17(11-20)18-13-25-26-14-18/h2-4,11,13-14,16,19H,5-10,12,15H2,1H3,(H,25,26)(H,27,31)/t16-,24?/m0/s1
InChIKeyIRUWBHMGLNDFKO-FXIRQEPWSA-N
MW435.53 g/mol
LogP2.13
Rot. Bonds6

About 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,4-dione

5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,4-dione (PubChem CID 158787061) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,4-dione
PubChem CID158787061
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)CC2=O)CCN1c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C24H29N5O3/c1-16-15-28(23(32)7-8-24(19-5-6-19)21(30)12-22(31)27-24)9-10-29(16)20-4-2-3-17(11-20)18-13-25-26-14-18/h2-4,11,13-14,16,19H,5-10,12,15H2,1H3,(H,25,26)(H,27,31)/t16-,24?/m0/s1
InChIKeyIRUWBHMGLNDFKO-FXIRQEPWSA-N
XLogP2.13
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-5-[3-[(3S)-4-(1H-isoindol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]pyrrolidine-2,4-dione
CID 147066350
(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione
CID 159597636
5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylpyrrolidine-2,4-dione
CID 148755454
5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437603
(2S)-3-[(2S)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(2R)-3-[(2R)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine
CID 159795761
5-cyclopropyl-5-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437710
(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione
CID 121448637
5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyrimidin-5-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437664
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylpyrrolidine-2,4-dione
CID 159160080
3-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-3-methylpyrrolidine-2,5-dione
CID 147941137
5-hydroxy-4-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]-4-phenylimidazolidin-2-one
CID 170076860
5-cyclopropyl-5-[3-[4-[3-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 146266054

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,4-dione (CID 158787061) is 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,4-dione is C[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)CC2=O)CCN1c1cccc(-c2cn[nH]c2)c1.
What is the InChIKey of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,4-dione?
The InChIKey is IRUWBHMGLNDFKO-FXIRQEPWSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-16-15-28(23(32)7-8-24(19-5-6-19)21(30)12-22(31)27-24)9-10-29(16)20-4-2-3-17(11-20)18-13-25-26-14-18/h2-4,11,13-14,16,19H,5-10,12,15H2,1H3,(H,25,26)(H,27,31)/t16-,24?/m0/s1.
What are the key properties of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,4-dione?
5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,4-dione has a molecular weight of 435.53 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 158787061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).