(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one

C23H29N5O3 — CID 138464573

IUPAC(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one
SMILESCc1cnc(N2CCN(C(=O)c3ccc([C@@]4(C)NC(O)NC4=O)cc3C)CC2)c(C)c1
InChIInChI=1S/C23H29N5O3/c1-14-11-16(3)19(24-13-14)27-7-9-28(10-8-27)20(29)18-6-5-17(12-15(18)2)23(4)21(30)25-22(31)26-23/h5-6,11-13,22,26,31H,7-10H2,1-4H3,(H,25,30)/t22?,23-/m1/s1
InChIKeyIMCHNZJNPAWBMZ-OZAIVSQSSA-N
MW423.52 g/mol
LogP1.18
Rot. Bonds3

About (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one

(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one (PubChem CID 138464573) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one
PubChem CID138464573
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one
SMILESCc1cnc(N2CCN(C(=O)c3ccc([C@@]4(C)NC(O)NC4=O)cc3C)CC2)c(C)c1
InChIInChI=1S/C23H29N5O3/c1-14-11-16(3)19(24-13-14)27-7-9-28(10-8-27)20(29)18-6-5-17(12-15(18)2)23(4)21(30)25-22(31)26-23/h5-6,11-13,22,26,31H,7-10H2,1-4H3,(H,25,30)/t22?,23-/m1/s1
InChIKeyIMCHNZJNPAWBMZ-OZAIVSQSSA-N
XLogP1.18
TPSA97.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one with MolForge

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Related Compounds

3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4,4-dimethylpyrrolidin-2-one
CID 141370798
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(trifluoromethyl)phenyl]-5-methylimidazolidine-2,4-dione
CID 134494960
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 141265306
(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
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one
CID 141370646
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-hydroxy-3,5-dimethylimidazol-2-one
CID 123782642
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione
CID 71252581
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethylpyrrolidin-2-one
CID 141370707
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(6-fluoro-4-methyl-3-pyridinyl)methanone
CID 71252935
5-methyl-5-[3-methyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494886
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride
CID 67381318
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 134494465

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one?
The IUPAC name of (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one (CID 138464573) is (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one.
What is the SMILES notation for (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one?
The canonical SMILES for (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one is Cc1cnc(N2CCN(C(=O)c3ccc([C@@]4(C)NC(O)NC4=O)cc3C)CC2)c(C)c1.
What is the InChIKey of (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one?
The InChIKey is IMCHNZJNPAWBMZ-OZAIVSQSSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-14-11-16(3)19(24-13-14)27-7-9-28(10-8-27)20(29)18-6-5-17(12-15(18)2)23(4)21(30)25-22(31)26-23/h5-6,11-13,22,26,31H,7-10H2,1-4H3,(H,25,30)/t22?,23-/m1/s1.
What are the key properties of (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one?
(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one has a molecular weight of 423.52 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one is sourced from PubChem (CID 138464573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).