(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione

C23H26FN5O3 — CID 134494331

IUPAC(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(C(=O)N3CCN(c4ncc(C)cc4C)CC3)cc2F)NC(=O)NC1=O
InChIInChI=1S/C23H26FN5O3/c1-4-23(21(31)26-22(32)27-23)17-6-5-16(12-18(17)24)20(30)29-9-7-28(8-10-29)19-15(3)11-14(2)13-25-19/h5-6,11-13H,4,7-10H2,1-3H3,(H2,26,27,31,32)/t23-/m1/s1
InChIKeyDGSHIOGDMQRGBY-HSZRJFAPSA-N
MW439.49 g/mol
LogP2.24
Rot. Bonds4

About (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione

(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione (PubChem CID 134494331) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione
PubChem CID134494331
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC Name(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(C(=O)N3CCN(c4ncc(C)cc4C)CC3)cc2F)NC(=O)NC1=O
InChIInChI=1S/C23H26FN5O3/c1-4-23(21(31)26-22(32)27-23)17-6-5-16(12-18(17)24)20(30)29-9-7-28(8-10-29)19-15(3)11-14(2)13-25-19/h5-6,11-13H,4,7-10H2,1-3H3,(H2,26,27,31,32)/t23-/m1/s1
InChIKeyDGSHIOGDMQRGBY-HSZRJFAPSA-N
XLogP2.24
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione
CID 134494339
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione
CID 134494483
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione
CID 134494545
5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione
CID 134494383
(5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134495156
(5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione
CID 134494582
(3S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione;(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione
CID 158249149
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(trifluoromethyl)phenyl]-5-methylimidazolidine-2,4-dione
CID 134494960
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 67382281
[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 133359775
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67381251
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one
CID 141370646

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione (CID 134494331) is (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione is CC[C@]1(c2ccc(C(=O)N3CCN(c4ncc(C)cc4C)CC3)cc2F)NC(=O)NC1=O.
What is the InChIKey of (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione?
The InChIKey is DGSHIOGDMQRGBY-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-4-23(21(31)26-22(32)27-23)17-6-5-16(12-18(17)24)20(30)29-9-7-28(8-10-29)19-15(3)11-14(2)13-25-19/h5-6,11-13H,4,7-10H2,1-3H3,(H2,26,27,31,32)/t23-/m1/s1.
What are the key properties of (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione?
(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione has a molecular weight of 439.49 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 134494331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).