5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(2-methylpyrazol-3-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C24H30N6O3 — CID 121437561

IUPAC5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(2-methylpyrazol-3-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cccc(-c2ccnn2C)c1
InChIInChI=1S/C24H30N6O3/c1-16-15-29(21(31)8-10-24(18-6-7-18)22(32)26-23(33)27-24)12-13-30(16)19-5-3-4-17(14-19)20-9-11-25-28(20)2/h3-5,9,11,14,16,18H,6-8,10,12-13,15H2,1-2H3,(H2,26,27,32,33)/t16-,24?/m0/s1
InChIKeyDACNMHXVSICLIS-FXIRQEPWSA-N
MW450.54 g/mol
LogP1.89
Rot. Bonds6

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

5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(2-methylpyrazol-3-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 121437561) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(2-methylpyrazol-3-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(2-methylpyrazol-3-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID121437561
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(2-methylpyrazol-3-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cccc(-c2ccnn2C)c1
InChIInChI=1S/C24H30N6O3/c1-16-15-29(21(31)8-10-24(18-6-7-18)22(32)26-23(33)27-24)12-13-30(16)19-5-3-4-17(14-19)20-9-11-25-28(20)2/h3-5,9,11,14,16,18H,6-8,10,12-13,15H2,1-2H3,(H2,26,27,32,33)/t16-,24?/m0/s1
InChIKeyDACNMHXVSICLIS-FXIRQEPWSA-N
XLogP1.89
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(2-methylpyrazol-3-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(2-methylpyrazol-3-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 121437561) is 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(2-methylpyrazol-3-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(2-methylpyrazol-3-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(2-methylpyrazol-3-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is C[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cccc(-c2ccnn2C)c1.
What is the InChIKey of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(2-methylpyrazol-3-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is DACNMHXVSICLIS-FXIRQEPWSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-16-15-29(21(31)8-10-24(18-6-7-18)22(32)26-23(33)27-24)12-13-30(16)19-5-3-4-17(14-19)20-9-11-25-28(20)2/h3-5,9,11,14,16,18H,6-8,10,12-13,15H2,1-2H3,(H2,26,27,32,33)/t16-,24?/m0/s1.
What are the key properties of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(2-methylpyrazol-3-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(2-methylpyrazol-3-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 450.54 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-[3-(2-methylpyrazol-3-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121437561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).