2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one

C22H17F4N5O — CID 148643237

IUPAC2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one
SMILESCc1ncccc1-c1cc(C2(c3ccnc(C(F)F)c3)N=C(N)N(C)C2=O)cc(F)c1F
InChIInChI=1S/C22H17F4N5O/c1-11-14(4-3-6-28-11)15-8-13(9-16(23)18(15)24)22(20(32)31(2)21(27)30-22)12-5-7-29-17(10-12)19(25)26/h3-10,19H,1-2H3,(H2,27,30)
InChIKeyNKLHNWTZIWDBQA-UHFFFAOYSA-N
MW443.40 g/mol
LogP3.70
Rot. Bonds4

About 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one

2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one (PubChem CID 148643237) has the molecular formula C22H17F4N5O and a molecular weight of 443.40 g/mol. Its IUPAC name is 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one
PubChem CID148643237
Molecular FormulaC22H17F4N5O
Molecular Weight443.40 g/mol
Exact Mass443.14
IUPAC Name2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one
SMILESCc1ncccc1-c1cc(C2(c3ccnc(C(F)F)c3)N=C(N)N(C)C2=O)cc(F)c1F
InChIInChI=1S/C22H17F4N5O/c1-11-14(4-3-6-28-11)15-8-13(9-16(23)18(15)24)22(20(32)31(2)21(27)30-22)12-5-7-29-17(10-12)19(25)26/h3-10,19H,1-2H3,(H2,27,30)
InChIKeyNKLHNWTZIWDBQA-UHFFFAOYSA-N
XLogP3.70
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one with MolForge

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Related Compounds

2-amino-5-[3-chloro-5-(2-fluorophenyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 153495918
2-amino-5-[3,4-difluoro-5-(2-fluorophenyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 153496056
2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one
CID 146622439
2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 146622446
2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
CID 153495952
2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one
CID 153495924
(5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
CID 59834568
2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 146622433
2-amino-5-[3-chloro-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 146625308
3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile
CID 153495964
2-amino-5-[3,4-difluoro-5-(4-fluorophenyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one
CID 146622522
2-amino-5-[3-chloro-5-(2-fluoro-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-chloro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-chloro-5-(2-methyl-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-(3-chloro-5-pyrazin-2-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-(3-chloro-5-pyridazin-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-chlorophenyl]pyridine-3-carbonitrile
CID 158837546

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one (CID 148643237) is 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one is Cc1ncccc1-c1cc(C2(c3ccnc(C(F)F)c3)N=C(N)N(C)C2=O)cc(F)c1F.
What is the InChIKey of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The InChIKey is NKLHNWTZIWDBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N5O/c1-11-14(4-3-6-28-11)15-8-13(9-16(23)18(15)24)22(20(32)31(2)21(27)30-22)12-5-7-29-17(10-12)19(25)26/h3-10,19H,1-2H3,(H2,27,30).
What are the key properties of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one has a molecular weight of 443.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 148643237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).