2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]imidazol-4-one

C27H27N5O3 — CID 59388856

IUPAC2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]imidazol-4-one
SMILESCOc1cncc(-c2cccc(C3(C)N=C(N)N(CC4CC(=O)N(c5ccccc5)C4)C3=O)c2)c1
InChIInChI=1S/C27H27N5O3/c1-27(21-8-6-7-19(12-21)20-13-23(35-2)15-29-14-20)25(34)32(26(28)30-27)17-18-11-24(33)31(16-18)22-9-4-3-5-10-22/h3-10,12-15,18H,11,16-17H2,1-2H3,(H2,28,30)
InChIKeyRTEJDDKVBQESDD-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.18
Rot. Bonds6

About 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]imidazol-4-one

2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]imidazol-4-one (PubChem CID 59388856) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]imidazol-4-one
PubChem CID59388856
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]imidazol-4-one
SMILESCOc1cncc(-c2cccc(C3(C)N=C(N)N(CC4CC(=O)N(c5ccccc5)C4)C3=O)c2)c1
InChIInChI=1S/C27H27N5O3/c1-27(21-8-6-7-19(12-21)20-13-23(35-2)15-29-14-20)25(34)32(26(28)30-27)17-18-11-24(33)31(16-18)22-9-4-3-5-10-22/h3-10,12-15,18H,11,16-17H2,1-2H3,(H2,28,30)
InChIKeyRTEJDDKVBQESDD-UHFFFAOYSA-N
XLogP3.18
TPSA101.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]imidazol-4-one?
The IUPAC name of 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]imidazol-4-one (CID 59388856) is 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]imidazol-4-one is COc1cncc(-c2cccc(C3(C)N=C(N)N(CC4CC(=O)N(c5ccccc5)C4)C3=O)c2)c1.
What is the InChIKey of 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]imidazol-4-one?
The InChIKey is RTEJDDKVBQESDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-27(21-8-6-7-19(12-21)20-13-23(35-2)15-29-14-20)25(34)32(26(28)30-27)17-18-11-24(33)31(16-18)22-9-4-3-5-10-22/h3-10,12-15,18H,11,16-17H2,1-2H3,(H2,28,30).
What are the key properties of 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]imidazol-4-one?
2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]imidazol-4-one has a molecular weight of 469.55 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]imidazol-4-one is sourced from PubChem (CID 59388856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).