1-(4-morpholin-4-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one

C23H27N7O2 — CID 155453426

IUPAC1-(4-morpholin-4-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
SMILESCC(C)n1cnnc1-c1cccc(N2CCN(c3ccc(N4CCOCC4)cc3)C2=O)n1
InChIInChI=1S/C23H27N7O2/c1-17(2)30-16-24-26-22(30)20-4-3-5-21(25-20)29-11-10-28(23(29)31)19-8-6-18(7-9-19)27-12-14-32-15-13-27/h3-9,16-17H,10-15H2,1-2H3
InChIKeyTXJAWHCQQDQBQY-UHFFFAOYSA-N
MW433.52 g/mol
LogP3.20
Rot. Bonds5

About 1-(4-morpholin-4-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one

1-(4-morpholin-4-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 155453426) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-morpholin-4-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
PubChem CID155453426
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name1-(4-morpholin-4-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
SMILESCC(C)n1cnnc1-c1cccc(N2CCN(c3ccc(N4CCOCC4)cc3)C2=O)n1
InChIInChI=1S/C23H27N7O2/c1-17(2)30-16-24-26-22(30)20-4-3-5-21(25-20)29-11-10-28(23(29)31)19-8-6-18(7-9-19)27-12-14-32-15-13-27/h3-9,16-17H,10-15H2,1-2H3
InChIKeyTXJAWHCQQDQBQY-UHFFFAOYSA-N
XLogP3.20
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[4-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]phenyl]piperazine-1-carboxamide
CID 155435279
1-(4-imidazol-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 155453631
N-methyl-4-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]benzenesulfonamide
CID 155435136
1-(4-methylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-propoxypropane
CID 155748065
1-(3-cyclopropyl-4-fluorophenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 155435171
N-methyl-1-[5-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide
CID 155435180
cyclohexane;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-(4-methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 167564183
1-(5-piperazin-1-yl-2-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazol-2-one
CID 155230944
3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one
CID 154636541
tert-butyl N-[2-[cyano(cyclopropyl)methyl]-4-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]phenyl]carbamate
CID 155435127
5-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 137435676
1-(4-methylsulfanylphenyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 155748047

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-(4-morpholin-4-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one (CID 155453426) is 1-(4-morpholin-4-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-morpholin-4-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-morpholin-4-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one is CC(C)n1cnnc1-c1cccc(N2CCN(c3ccc(N4CCOCC4)cc3)C2=O)n1.
What is the InChIKey of 1-(4-morpholin-4-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is TXJAWHCQQDQBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-17(2)30-16-24-26-22(30)20-4-3-5-21(25-20)29-11-10-28(23(29)31)19-8-6-18(7-9-19)27-12-14-32-15-13-27/h3-9,16-17H,10-15H2,1-2H3.
What are the key properties of 1-(4-morpholin-4-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
1-(4-morpholin-4-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 433.52 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 155453426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).