5-cyclopropyl-5-[3-[(3S)-4-(4,6-dichloro-2-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C19H23Cl2N5O3 — CID 121437921

IUPAC5-cyclopropyl-5-[3-[(3S)-4-(4,6-dichloro-2-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cc(Cl)cc(Cl)n1
InChIInChI=1S/C19H23Cl2N5O3/c1-11-10-25(6-7-26(11)15-9-13(20)8-14(21)22-15)16(27)4-5-19(12-2-3-12)17(28)23-18(29)24-19/h8-9,11-12H,2-7,10H2,1H3,(H2,23,24,28,29)/t11-,19?/m0/s1
InChIKeyRHHLSJFXLSSHRJ-IFGYVTRGSA-N
MW440.33 g/mol
LogP2.19
Rot. Bonds5

About 5-cyclopropyl-5-[3-[(3S)-4-(4,6-dichloro-2-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

5-cyclopropyl-5-[3-[(3S)-4-(4,6-dichloro-2-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 121437921) has the molecular formula C19H23Cl2N5O3 and a molecular weight of 440.33 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-[(3S)-4-(4,6-dichloro-2-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-[3-[(3S)-4-(4,6-dichloro-2-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID121437921
Molecular FormulaC19H23Cl2N5O3
Molecular Weight440.33 g/mol
Exact Mass439.12
IUPAC Name5-cyclopropyl-5-[3-[(3S)-4-(4,6-dichloro-2-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cc(Cl)cc(Cl)n1
InChIInChI=1S/C19H23Cl2N5O3/c1-11-10-25(6-7-26(11)15-9-13(20)8-14(21)22-15)16(27)4-5-19(12-2-3-12)17(28)23-18(29)24-19/h8-9,11-12H,2-7,10H2,1H3,(H2,23,24,28,29)/t11-,19?/m0/s1
InChIKeyRHHLSJFXLSSHRJ-IFGYVTRGSA-N
XLogP2.19
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 5-cyclopropyl-5-[3-[(3S)-4-(4,6-dichloro-2-pyridinyl)-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-(4,6-dichloro-2-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-[3-[(3S)-4-(4,6-dichloro-2-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 121437921) is 5-cyclopropyl-5-[3-[(3S)-4-(4,6-dichloro-2-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-[3-[(3S)-4-(4,6-dichloro-2-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-[3-[(3S)-4-(4,6-dichloro-2-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is C[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cc(Cl)cc(Cl)n1.
What is the InChIKey of 5-cyclopropyl-5-[3-[(3S)-4-(4,6-dichloro-2-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is RHHLSJFXLSSHRJ-IFGYVTRGSA-N. The full InChI is InChI=1S/C19H23Cl2N5O3/c1-11-10-25(6-7-26(11)15-9-13(20)8-14(21)22-15)16(27)4-5-19(12-2-3-12)17(28)23-18(29)24-19/h8-9,11-12H,2-7,10H2,1H3,(H2,23,24,28,29)/t11-,19?/m0/s1.
What are the key properties of 5-cyclopropyl-5-[3-[(3S)-4-(4,6-dichloro-2-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-[3-[(3S)-4-(4,6-dichloro-2-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 440.33 g/mol, XLogP of 2.19, 5 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)-4-(4,6-dichloro-2-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121437921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).