2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one

C19H15F3N6O — CID 146622439

IUPAC2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccnc(C(F)F)c2)(c2ccc(F)c(-c3ccn[nH]3)c2)N=C1N
InChIInChI=1S/C19H15F3N6O/c1-28-17(29)19(26-18(28)23,11-4-6-24-15(9-11)16(21)22)10-2-3-13(20)12(8-10)14-5-7-25-27-14/h2-9,16H,1H3,(H2,23,26)(H,25,27)
InChIKeyOZAXYGKAJIJQFS-UHFFFAOYSA-N
MW400.36 g/mol
LogP2.58
Rot. Bonds4

About 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one

2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one (PubChem CID 146622439) has the molecular formula C19H15F3N6O and a molecular weight of 400.36 g/mol. Its IUPAC name is 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one
PubChem CID146622439
Molecular FormulaC19H15F3N6O
Molecular Weight400.36 g/mol
Exact Mass400.13
IUPAC Name2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccnc(C(F)F)c2)(c2ccc(F)c(-c3ccn[nH]3)c2)N=C1N
InChIInChI=1S/C19H15F3N6O/c1-28-17(29)19(26-18(28)23,11-4-6-24-15(9-11)16(21)22)10-2-3-13(20)12(8-10)14-5-7-25-27-14/h2-9,16H,1H3,(H2,23,26)(H,25,27)
InChIKeyOZAXYGKAJIJQFS-UHFFFAOYSA-N
XLogP2.58
TPSA100.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one (CID 146622439) is 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one is CN1C(=O)C(c2ccnc(C(F)F)c2)(c2ccc(F)c(-c3ccn[nH]3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one?
The InChIKey is OZAXYGKAJIJQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O/c1-28-17(29)19(26-18(28)23,11-4-6-24-15(9-11)16(21)22)10-2-3-13(20)12(8-10)14-5-7-25-27-14/h2-9,16H,1H3,(H2,23,26)(H,25,27).
What are the key properties of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one?
2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one has a molecular weight of 400.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 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-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 146622439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).