(5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one

C20H15F2N5O — CID 59834568

IUPAC(5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
SMILESCN1C(=O)[C@](c2ccncc2)(c2ccc(F)c(-c3cccnc3F)c2)N=C1N
InChIInChI=1S/C20H15F2N5O/c1-27-18(28)20(26-19(27)23,12-6-9-24-10-7-12)13-4-5-16(21)15(11-13)14-3-2-8-25-17(14)22/h2-11H,1H3,(H2,23,26)/t20-/m0/s1
InChIKeyNJOYZBUOTXBFIF-FQEVSTJZSA-N
MW379.37 g/mol
LogP2.45
Rot. Bonds3

About (5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one

(5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one (PubChem CID 59834568) has the molecular formula C20H15F2N5O and a molecular weight of 379.37 g/mol. Its IUPAC name is (5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
PubChem CID59834568
Molecular FormulaC20H15F2N5O
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name(5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
SMILESCN1C(=O)[C@](c2ccncc2)(c2ccc(F)c(-c3cccnc3F)c2)N=C1N
InChIInChI=1S/C20H15F2N5O/c1-27-18(28)20(26-19(27)23,12-6-9-24-10-7-12)13-4-5-16(21)15(11-13)14-3-2-8-25-17(14)22/h2-11H,1H3,(H2,23,26)/t20-/m0/s1
InChIKeyNJOYZBUOTXBFIF-FQEVSTJZSA-N
XLogP2.45
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
The IUPAC name of (5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one (CID 59834568) is (5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one is CN1C(=O)[C@](c2ccncc2)(c2ccc(F)c(-c3cccnc3F)c2)N=C1N.
What is the InChIKey of (5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
The InChIKey is NJOYZBUOTXBFIF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H15F2N5O/c1-27-18(28)20(26-19(27)23,12-6-9-24-10-7-12)13-4-5-16(21)15(11-13)14-3-2-8-25-17(14)22/h2-11H,1H3,(H2,23,26)/t20-/m0/s1.
What are the key properties of (5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
(5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one has a molecular weight of 379.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one is sourced from PubChem (CID 59834568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).