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

C23H25F2N5O3 — CID 121437701

IUPAC5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(6-methyl-3-pyridinyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(CCC(=O)N3CCN(c4cc(F)cc(F)c4)[C@@H](C)C3)NC(=O)NC2=O)cn1
InChIInChI=1S/C23H25F2N5O3/c1-14-3-4-16(12-26-14)23(21(32)27-22(33)28-23)6-5-20(31)29-7-8-30(15(2)13-29)19-10-17(24)9-18(25)11-19/h3-4,9-12,15H,5-8,13H2,1-2H3,(H2,27,28,32,33)/t15-,23?/m0/s1
InChIKeyINRSJNUJFBTCES-NGMICRHFSA-N
MW457.48 g/mol
LogP2.22
Rot. Bonds5

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

5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(6-methyl-3-pyridinyl)imidazolidine-2,4-dione (PubChem CID 121437701) has the molecular formula C23H25F2N5O3 and a molecular weight of 457.48 g/mol. Its IUPAC name is 5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(6-methyl-3-pyridinyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(6-methyl-3-pyridinyl)imidazolidine-2,4-dione
PubChem CID121437701
Molecular FormulaC23H25F2N5O3
Molecular Weight457.48 g/mol
Exact Mass457.19
IUPAC Name5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(6-methyl-3-pyridinyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(CCC(=O)N3CCN(c4cc(F)cc(F)c4)[C@@H](C)C3)NC(=O)NC2=O)cn1
InChIInChI=1S/C23H25F2N5O3/c1-14-3-4-16(12-26-14)23(21(32)27-22(33)28-23)6-5-20(31)29-7-8-30(15(2)13-29)19-10-17(24)9-18(25)11-19/h3-4,9-12,15H,5-8,13H2,1-2H3,(H2,27,28,32,33)/t15-,23?/m0/s1
InChIKeyINRSJNUJFBTCES-NGMICRHFSA-N
XLogP2.22
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(6-methyl-3-pyridinyl)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-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(6-methyl-3-pyridinyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(6-methyl-3-pyridinyl)imidazolidine-2,4-dione (CID 121437701) is 5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(6-methyl-3-pyridinyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(6-methyl-3-pyridinyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(6-methyl-3-pyridinyl)imidazolidine-2,4-dione is Cc1ccc(C2(CCC(=O)N3CCN(c4cc(F)cc(F)c4)[C@@H](C)C3)NC(=O)NC2=O)cn1.
What is the InChIKey of 5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(6-methyl-3-pyridinyl)imidazolidine-2,4-dione?
The InChIKey is INRSJNUJFBTCES-NGMICRHFSA-N. The full InChI is InChI=1S/C23H25F2N5O3/c1-14-3-4-16(12-26-14)23(21(32)27-22(33)28-23)6-5-20(31)29-7-8-30(15(2)13-29)19-10-17(24)9-18(25)11-19/h3-4,9-12,15H,5-8,13H2,1-2H3,(H2,27,28,32,33)/t15-,23?/m0/s1.
What are the key properties of 5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(6-methyl-3-pyridinyl)imidazolidine-2,4-dione?
5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(6-methyl-3-pyridinyl)imidazolidine-2,4-dione has a molecular weight of 457.48 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(6-methyl-3-pyridinyl)imidazolidine-2,4-dione is sourced from PubChem (CID 121437701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).