5-cyclopropyl-5-[3-[(3S)-4-(1H-indazol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C21H26N6O3 — CID 121437732

IUPAC5-cyclopropyl-5-[3-[(3S)-4-(1H-indazol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1ccc2[nH]ncc2c1
InChIInChI=1S/C21H26N6O3/c1-13-12-26(8-9-27(13)16-4-5-17-14(10-16)11-22-25-17)18(28)6-7-21(15-2-3-15)19(29)23-20(30)24-21/h4-5,10-11,13,15H,2-3,6-9,12H2,1H3,(H,22,25)(H2,23,24,29,30)/t13-,21?/m0/s1
InChIKeyPDFWURDFCNTADX-JRTLGTJJSA-N
MW410.48 g/mol
LogP1.37
Rot. Bonds5

About 5-cyclopropyl-5-[3-[(3S)-4-(1H-indazol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

5-cyclopropyl-5-[3-[(3S)-4-(1H-indazol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 121437732) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-[(3S)-4-(1H-indazol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-[3-[(3S)-4-(1H-indazol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID121437732
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name5-cyclopropyl-5-[3-[(3S)-4-(1H-indazol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1ccc2[nH]ncc2c1
InChIInChI=1S/C21H26N6O3/c1-13-12-26(8-9-27(13)16-4-5-17-14(10-16)11-22-25-17)18(28)6-7-21(15-2-3-15)19(29)23-20(30)24-21/h4-5,10-11,13,15H,2-3,6-9,12H2,1H3,(H,22,25)(H2,23,24,29,30)/t13-,21?/m0/s1
InChIKeyPDFWURDFCNTADX-JRTLGTJJSA-N
XLogP1.37
TPSA110.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-cyclopropyl-5-[3-[(3S)-4-(1H-indazol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-[3-[(3S)-4-(1H-indazol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-[3-[(3S)-4-(1H-indazol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 121437732) is 5-cyclopropyl-5-[3-[(3S)-4-(1H-indazol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-[3-[(3S)-4-(1H-indazol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-[3-[(3S)-4-(1H-indazol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is C[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-cyclopropyl-5-[3-[(3S)-4-(1H-indazol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is PDFWURDFCNTADX-JRTLGTJJSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-13-12-26(8-9-27(13)16-4-5-17-14(10-16)11-22-25-17)18(28)6-7-21(15-2-3-15)19(29)23-20(30)24-21/h4-5,10-11,13,15H,2-3,6-9,12H2,1H3,(H,22,25)(H2,23,24,29,30)/t13-,21?/m0/s1.
What are the key properties of 5-cyclopropyl-5-[3-[(3S)-4-(1H-indazol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-[3-[(3S)-4-(1H-indazol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 410.48 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-[3-[(3S)-4-(1H-indazol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121437732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).