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

C27H31N5O3 — CID 134494582

IUPAC(5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(C(=O)N3CCN(c4ncc(C5CC5)cc4C4CC4)CC3)cc2)NC(=O)NC1=O
InChIInChI=1S/C27H31N5O3/c1-2-27(25(34)29-26(35)30-27)21-9-7-19(8-10-21)24(33)32-13-11-31(12-14-32)23-22(18-5-6-18)15-20(16-28-23)17-3-4-17/h7-10,15-18H,2-6,11-14H2,1H3,(H2,29,30,34,35)/t27-/m1/s1
InChIKeyCDISKQMSDNNPOQ-HHHXNRCGSA-N
MW473.58 g/mol
LogP3.24
Rot. Bonds6

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

(5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione (PubChem CID 134494582) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is (5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione
PubChem CID134494582
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name(5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(C(=O)N3CCN(c4ncc(C5CC5)cc4C4CC4)CC3)cc2)NC(=O)NC1=O
InChIInChI=1S/C27H31N5O3/c1-2-27(25(34)29-26(35)30-27)21-9-7-19(8-10-21)24(33)32-13-11-31(12-14-32)23-22(18-5-6-18)15-20(16-28-23)17-3-4-17/h7-10,15-18H,2-6,11-14H2,1H3,(H2,29,30,34,35)/t27-/m1/s1
InChIKeyCDISKQMSDNNPOQ-HHHXNRCGSA-N
XLogP3.24
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione with MolForge

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Related Compounds

ethyl N-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylcarbamate
CID 71253045
3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;methoxyethane
CID 143982799
5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione
CID 134494383
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione
CID 134494545
(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione
CID 134494331
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione
CID 134494339
(5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134495156
5-(methoxymethyl)-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494521
3-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one
CID 58484810
[3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate
CID 67380711
1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one
CID 71252643
5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione
CID 134494613

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione (CID 134494582) is (5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione is CC[C@]1(c2ccc(C(=O)N3CCN(c4ncc(C5CC5)cc4C4CC4)CC3)cc2)NC(=O)NC1=O.
What is the InChIKey of (5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione?
The InChIKey is CDISKQMSDNNPOQ-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-2-27(25(34)29-26(35)30-27)21-9-7-19(8-10-21)24(33)32-13-11-31(12-14-32)23-22(18-5-6-18)15-20(16-28-23)17-3-4-17/h7-10,15-18H,2-6,11-14H2,1H3,(H2,29,30,34,35)/t27-/m1/s1.
What are the key properties of (5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione?
(5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione has a molecular weight of 473.58 g/mol, XLogP of 3.24, 6 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-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 134494582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).