(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'}

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

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Related Compounds

4-[(4R)-2-amino-4-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-(2-fluoroethyl)pyrrole-2-carboxylic acid
CID 68705282
(5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
CID 46830239
2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-phenylimidazol-4-one
CID 163906937
methane;methyl 4-[2-amino-4-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-(2-fluoroethyl)pyrrole-2-carboxylate;methyl 4-[(4S)-2-amino-4-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-(2-fluoroethyl)pyrrole-2-carboxylate;methyl 4-[(4R)-2-amino-4-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-(2-fluoroethyl)pyrrole-2-carboxylate;sulfane
CID 159863644
2-amino-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
CID 148855236
2-amino-5-[3,4-difluoro-5-(2-fluorophenyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 153496056
[3-[2-amino-4-[3-(5-chloro-2-fluoro-3-pyridinyl)-4-fluorophenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl] methanesulfonate
CID 24991735
2-amino-5-[3,4-bis(oxiran-2-yl)phenyl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 89138384
2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazol-4-one
CID 25117905
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one
CID 153496004
2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 148643237
2-amino-5-[4-(2-fluoroethoxy)phenyl]-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one
CID 161223146

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).