imidazolidine-2,4-dione;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carbaldehyde;(5Z)-5-[[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]methylidene]pyrrolidine-2,4-dione

About imidazolidine-2,4-dione;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carbaldehyde;(5Z)-5-[[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]methylidene]pyrrolidine-2,4-dione

imidazolidine-2,4-dione;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carbaldehyde;(5Z)-5-[[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]methylidene]pyrrolidine-2,4-dione (PubChem CID 162228557) has the molecular formula C39H43F6N13O5 and a molecular weight of 887.85 g/mol. Its IUPAC name is imidazolidine-2,4-dione;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carbaldehyde;(5Z)-5-[[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]methylidene]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name	imidazolidine-2,4-dione;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carbaldehyde;(5Z)-5-[[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]methylidene]pyrrolidine-2,4-dione
PubChem CID	162228557
Molecular Formula	C39H43F6N13O5
Molecular Weight	887.85 g/mol
Exact Mass	887.34
IUPAC Name	imidazolidine-2,4-dione;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carbaldehyde;(5Z)-5-[[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]methylidene]pyrrolidine-2,4-dione
SMILES	C[C@@H]1CN(Cc2cn[nH]c2/C=C2\NC(=O)CC2=O)CCN1c1ccc(C(F)(F)F)cn1.C[C@@H]1CN(Cc2cn[nH]c2C=O)CCN1c1ccc(C(F)(F)F)cn1.O=C1CNC(=O)N1
InChI	InChI=1S/C20H21F3N6O2.C16H18F3N5O.C3H4N2O2/c1-12-10-28(4-5-29(12)18-3-2-14(9-24-18)20(21,22)23)11-13-8-25-27-15(13)6-16-17(30)7-19(31)26-16;1-11-8-23(9-12-6-21-22-14(12)10-25)4-5-24(11)15-3-2-13(7-20-15)16(17,18)19;6-2-1-4-3(7)5-2/h2-3,6,8-9,12H,4-5,7,10-11H2,1H3,(H,25,27)(H,26,31);2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,21,22);1H2,(H2,4,5,6,7)/b16-6-;;/t12-;11-;/m11./s1
InChIKey	ZVCDPAJOOVOLBA-ZMNGCJLJSA-N
XLogP	3.14
TPSA	217.54 Å²
H-Bond Donors	5
H-Bond Acceptors	13
Rotatable Bonds	8
Heavy Atoms	63
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.85
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of imidazolidine-2,4-dione;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carbaldehyde;(5Z)-5-[[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]methylidene]pyrrolidine-2,4-dione?

The IUPAC name of imidazolidine-2,4-dione;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carbaldehyde;(5Z)-5-[[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]methylidene]pyrrolidine-2,4-dione (CID 162228557) is imidazolidine-2,4-dione;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carbaldehyde;(5Z)-5-[[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]methylidene]pyrrolidine-2,4-dione.

What is the SMILES notation for imidazolidine-2,4-dione;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carbaldehyde;(5Z)-5-[[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]methylidene]pyrrolidine-2,4-dione?

The canonical SMILES for imidazolidine-2,4-dione;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carbaldehyde;(5Z)-5-[[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]methylidene]pyrrolidine-2,4-dione is C[C@@H]1CN(Cc2cn[nH]c2/C=C2\NC(=O)CC2=O)CCN1c1ccc(C(F)(F)F)cn1.C[C@@H]1CN(Cc2cn[nH]c2C=O)CCN1c1ccc(C(F)(F)F)cn1.O=C1CNC(=O)N1.

What is the InChIKey of imidazolidine-2,4-dione;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carbaldehyde;(5Z)-5-[[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]methylidene]pyrrolidine-2,4-dione?

The InChIKey is ZVCDPAJOOVOLBA-ZMNGCJLJSA-N. The full InChI is InChI=1S/C20H21F3N6O2.C16H18F3N5O.C3H4N2O2/c1-12-10-28(4-5-29(12)18-3-2-14(9-24-18)20(21,22)23)11-13-8-25-27-15(13)6-16-17(30)7-19(31)26-16;1-11-8-23(9-12-6-21-22-14(12)10-25)4-5-24(11)15-3-2-13(7-20-15)16(17,18)19;6-2-1-4-3(7)5-2/h2-3,6,8-9,12H,4-5,7,10-11H2,1H3,(H,25,27)(H,26,31);2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,21,22);1H2,(H2,4,5,6,7)/b16-6-;;/t12-;11-;/m11./s1.

What are the key properties of imidazolidine-2,4-dione;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carbaldehyde;(5Z)-5-[[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]methylidene]pyrrolidine-2,4-dione?

Where does this data come from?

All data for imidazolidine-2,4-dione;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carbaldehyde;(5Z)-5-[[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]methylidene]pyrrolidine-2,4-dione is sourced from PubChem (CID 162228557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).