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

C19H15ClF2N6O — CID 146625308

IUPAC2-amino-5-[3-chloro-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(Cl)cc(-c3ccn[nH]3)c2)(c2ccnc(C(F)F)c2)N=C1N
InChIInChI=1S/C19H15ClF2N6O/c1-28-17(29)19(26-18(28)23,11-2-4-24-15(9-11)16(21)22)12-6-10(7-13(20)8-12)14-3-5-25-27-14/h2-9,16H,1H3,(H2,23,26)(H,25,27)
InChIKeyNLBLVVNZMZAEKM-UHFFFAOYSA-N
MW416.82 g/mol
LogP3.09
Rot. Bonds4

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

2-amino-5-[3-chloro-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one (PubChem CID 146625308) has the molecular formula C19H15ClF2N6O and a molecular weight of 416.82 g/mol. Its IUPAC name is 2-amino-5-[3-chloro-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-chloro-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
PubChem CID146625308
Molecular FormulaC19H15ClF2N6O
Molecular Weight416.82 g/mol
Exact Mass416.10
IUPAC Name2-amino-5-[3-chloro-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(Cl)cc(-c3ccn[nH]3)c2)(c2ccnc(C(F)F)c2)N=C1N
InChIInChI=1S/C19H15ClF2N6O/c1-28-17(29)19(26-18(28)23,11-2-4-24-15(9-11)16(21)22)12-6-10(7-13(20)8-12)14-3-5-25-27-14/h2-9,16H,1H3,(H2,23,26)(H,25,27)
InChIKeyNLBLVVNZMZAEKM-UHFFFAOYSA-N
XLogP3.09
TPSA100.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.82
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 146622433
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-chloro-5-(2-fluorophenyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 153495918
2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one
CID 153495924
3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile
CID 153495964
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-[3-chloro-5-(2-methylpyrimidin-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
CID 153161398
2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-5-[3-(furan-3-yl)phenyl]-3-methylimidazol-4-one
CID 146623019
3-[3-[2-amino-4-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]benzonitrile
CID 146623015
2-amino-5-[3-chloro-5-(1,3-oxazol-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
CID 153495921
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
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-2-ylimidazol-4-one
CID 59388662

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-chloro-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-chloro-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one (CID 146625308) is 2-amino-5-[3-chloro-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-chloro-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-chloro-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one is CN1C(=O)C(c2cc(Cl)cc(-c3ccn[nH]3)c2)(c2ccnc(C(F)F)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-chloro-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The InChIKey is NLBLVVNZMZAEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N6O/c1-28-17(29)19(26-18(28)23,11-2-4-24-15(9-11)16(21)22)12-6-10(7-13(20)8-12)14-3-5-25-27-14/h2-9,16H,1H3,(H2,23,26)(H,25,27).
What are the key properties of 2-amino-5-[3-chloro-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
2-amino-5-[3-chloro-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one has a molecular weight of 416.82 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-chloro-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one is sourced from PubChem (CID 146625308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).