1-[4-[4-(3-ethyl-3,5-dimethyl-2H-pyridin-6-yl)piperazine-1-carbonyl]-3-fluorophenyl]-3,5,5-trimethylimidazolidine-2,4-dione

C26H34FN5O3 — CID 148638407

IUPAC1-[4-[4-(3-ethyl-3,5-dimethyl-2H-pyridin-6-yl)piperazine-1-carbonyl]-3-fluorophenyl]-3,5,5-trimethylimidazolidine-2,4-dione
SMILESCCC1(C)C=C(C)C(N2CCN(C(=O)c3ccc(N4C(=O)N(C)C(=O)C4(C)C)cc3F)CC2)=NC1
InChIInChI=1S/C26H34FN5O3/c1-7-26(5)15-17(2)21(28-16-26)30-10-12-31(13-11-30)22(33)19-9-8-18(14-20(19)27)32-24(35)29(6)23(34)25(32,3)4/h8-9,14-15H,7,10-13,16H2,1-6H3
InChIKeyNJNLDQFHSCTXHZ-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.54
Rot. Bonds3

About 1-[4-[4-(3-ethyl-3,5-dimethyl-2H-pyridin-6-yl)piperazine-1-carbonyl]-3-fluorophenyl]-3,5,5-trimethylimidazolidine-2,4-dione

1-[4-[4-(3-ethyl-3,5-dimethyl-2H-pyridin-6-yl)piperazine-1-carbonyl]-3-fluorophenyl]-3,5,5-trimethylimidazolidine-2,4-dione (PubChem CID 148638407) has the molecular formula C26H34FN5O3 and a molecular weight of 483.59 g/mol. Its IUPAC name is 1-[4-[4-(3-ethyl-3,5-dimethyl-2H-pyridin-6-yl)piperazine-1-carbonyl]-3-fluorophenyl]-3,5,5-trimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[4-(3-ethyl-3,5-dimethyl-2H-pyridin-6-yl)piperazine-1-carbonyl]-3-fluorophenyl]-3,5,5-trimethylimidazolidine-2,4-dione
PubChem CID148638407
Molecular FormulaC26H34FN5O3
Molecular Weight483.59 g/mol
Exact Mass483.26
IUPAC Name1-[4-[4-(3-ethyl-3,5-dimethyl-2H-pyridin-6-yl)piperazine-1-carbonyl]-3-fluorophenyl]-3,5,5-trimethylimidazolidine-2,4-dione
SMILESCCC1(C)C=C(C)C(N2CCN(C(=O)c3ccc(N4C(=O)N(C)C(=O)C4(C)C)cc3F)CC2)=NC1
InChIInChI=1S/C26H34FN5O3/c1-7-26(5)15-17(2)21(28-16-26)30-10-12-31(13-11-30)22(33)19-9-8-18(14-20(19)27)32-24(35)29(6)23(34)25(32,3)4/h8-9,14-15H,7,10-13,16H2,1-6H3
InChIKeyNJNLDQFHSCTXHZ-UHFFFAOYSA-N
XLogP3.54
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-ethyl-3,5-dimethyl-2H-pyridin-6-yl)piperazine-1-carbonyl]-3-fluorophenyl]-3,5,5-trimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[4-[4-(3-ethyl-3,5-dimethyl-2H-pyridin-6-yl)piperazine-1-carbonyl]-3-fluorophenyl]-3,5,5-trimethylimidazolidine-2,4-dione (CID 148638407) is 1-[4-[4-(3-ethyl-3,5-dimethyl-2H-pyridin-6-yl)piperazine-1-carbonyl]-3-fluorophenyl]-3,5,5-trimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-[4-(3-ethyl-3,5-dimethyl-2H-pyridin-6-yl)piperazine-1-carbonyl]-3-fluorophenyl]-3,5,5-trimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[4-[4-(3-ethyl-3,5-dimethyl-2H-pyridin-6-yl)piperazine-1-carbonyl]-3-fluorophenyl]-3,5,5-trimethylimidazolidine-2,4-dione is CCC1(C)C=C(C)C(N2CCN(C(=O)c3ccc(N4C(=O)N(C)C(=O)C4(C)C)cc3F)CC2)=NC1.
What is the InChIKey of 1-[4-[4-(3-ethyl-3,5-dimethyl-2H-pyridin-6-yl)piperazine-1-carbonyl]-3-fluorophenyl]-3,5,5-trimethylimidazolidine-2,4-dione?
The InChIKey is NJNLDQFHSCTXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN5O3/c1-7-26(5)15-17(2)21(28-16-26)30-10-12-31(13-11-30)22(33)19-9-8-18(14-20(19)27)32-24(35)29(6)23(34)25(32,3)4/h8-9,14-15H,7,10-13,16H2,1-6H3.
What are the key properties of 1-[4-[4-(3-ethyl-3,5-dimethyl-2H-pyridin-6-yl)piperazine-1-carbonyl]-3-fluorophenyl]-3,5,5-trimethylimidazolidine-2,4-dione?
1-[4-[4-(3-ethyl-3,5-dimethyl-2H-pyridin-6-yl)piperazine-1-carbonyl]-3-fluorophenyl]-3,5,5-trimethylimidazolidine-2,4-dione has a molecular weight of 483.59 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-ethyl-3,5-dimethyl-2H-pyridin-6-yl)piperazine-1-carbonyl]-3-fluorophenyl]-3,5,5-trimethylimidazolidine-2,4-dione is sourced from PubChem (CID 148638407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).