(5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione

C23H26FN5O3 — CID 134494842

IUPAC(5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C)c(N2CCN(C(=O)c3ccc([C@]4(C)NC(=O)NC4=O)cc3F)CC2)nc1C
InChIInChI=1S/C23H26FN5O3/c1-13-11-14(2)19(25-15(13)3)28-7-9-29(10-8-28)20(30)17-6-5-16(12-18(17)24)23(4)21(31)26-22(32)27-23/h5-6,11-12H,7-10H2,1-4H3,(H2,26,27,31,32)/t23-/m0/s1
InChIKeyYRKAIRHMZUHNAN-QHCPKHFHSA-N
MW439.49 g/mol
LogP2.16
Rot. Bonds3

About (5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione

(5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 134494842) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is (5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID134494842
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC Name(5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C)c(N2CCN(C(=O)c3ccc([C@]4(C)NC(=O)NC4=O)cc3F)CC2)nc1C
InChIInChI=1S/C23H26FN5O3/c1-13-11-14(2)19(25-15(13)3)28-7-9-29(10-8-28)20(30)17-6-5-16(12-18(17)24)23(4)21(31)26-22(32)27-23/h5-6,11-12H,7-10H2,1-4H3,(H2,26,27,31,32)/t23-/m0/s1
InChIKeyYRKAIRHMZUHNAN-QHCPKHFHSA-N
XLogP2.16
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.16
H-Bond Donors ≤ 52
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 (5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione (CID 134494842) is (5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione is Cc1cc(C)c(N2CCN(C(=O)c3ccc([C@]4(C)NC(=O)NC4=O)cc3F)CC2)nc1C.
What is the InChIKey of (5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is YRKAIRHMZUHNAN-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-13-11-14(2)19(25-15(13)3)28-7-9-29(10-8-28)20(30)17-6-5-16(12-18(17)24)23(4)21(31)26-22(32)27-23/h5-6,11-12H,7-10H2,1-4H3,(H2,26,27,31,32)/t23-/m0/s1.
What are the key properties of (5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 439.49 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 134494842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).