2-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methylfuran-2-yl)ethanone

C20H20F4N2O2 — CID 158303314

IUPAC2-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methylfuran-2-yl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(F)c([C@@]3(C)N=C(N)[C@](C)(F)CC3(F)F)c2)o1
InChIInChI=1S/C20H20F4N2O2/c1-11-4-7-16(28-11)15(27)9-12-5-6-14(21)13(8-12)19(3)20(23,24)10-18(2,22)17(25)26-19/h4-8H,9-10H2,1-3H3,(H2,25,26)/t18-,19-/m1/s1
InChIKeyGMTKYSNRFVLJCQ-RTBURBONSA-N
MW396.38 g/mol
LogP4.49
Rot. Bonds4

About 2-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methylfuran-2-yl)ethanone

2-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methylfuran-2-yl)ethanone (PubChem CID 158303314) has the molecular formula C20H20F4N2O2 and a molecular weight of 396.38 g/mol. Its IUPAC name is 2-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methylfuran-2-yl)ethanone.

Molecular Properties

Compound Name2-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methylfuran-2-yl)ethanone
PubChem CID158303314
Molecular FormulaC20H20F4N2O2
Molecular Weight396.38 g/mol
Exact Mass396.15
IUPAC Name2-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methylfuran-2-yl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(F)c([C@@]3(C)N=C(N)[C@](C)(F)CC3(F)F)c2)o1
InChIInChI=1S/C20H20F4N2O2/c1-11-4-7-16(28-11)15(27)9-12-5-6-14(21)13(8-12)19(3)20(23,24)10-18(2,22)17(25)26-19/h4-8H,9-10H2,1-3H3,(H2,25,26)/t18-,19-/m1/s1
InChIKeyGMTKYSNRFVLJCQ-RTBURBONSA-N
XLogP4.49
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methylfuran-2-yl)ethanone with MolForge

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Related Compounds

2-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
CID 159098774
5-[[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]methoxy]pyrazine-2-carboxamide
CID 126572228
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 118307941
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 118307972
2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(4-methyl-2H-pyrrol-3-yl)ethanone
CID 58304177
2-[3-[(5R)-3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-1-(3-fluoro-2-pyridinyl)ethanone
CID 58563096
2-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(4,5-dimethylfuran-2-yl)ethanone
CID 159811650
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide
CID 118307969
2-[3-[(5R)-3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)ethanone;formic acid
CID 158794109
2-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-1-(1,2-oxazol-5-yl)ethanone
CID 159205333
2-[3-[(5R)-3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-1-[5-(fluoromethoxy)pyrazin-2-yl]ethanone
CID 58563093
N-[3-(6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl)-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 123530631

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methylfuran-2-yl)ethanone?
The IUPAC name of 2-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methylfuran-2-yl)ethanone (CID 158303314) is 2-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methylfuran-2-yl)ethanone.
What is the SMILES notation for 2-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methylfuran-2-yl)ethanone?
The canonical SMILES for 2-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methylfuran-2-yl)ethanone is Cc1ccc(C(=O)Cc2ccc(F)c([C@@]3(C)N=C(N)[C@](C)(F)CC3(F)F)c2)o1.
What is the InChIKey of 2-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methylfuran-2-yl)ethanone?
The InChIKey is GMTKYSNRFVLJCQ-RTBURBONSA-N. The full InChI is InChI=1S/C20H20F4N2O2/c1-11-4-7-16(28-11)15(27)9-12-5-6-14(21)13(8-12)19(3)20(23,24)10-18(2,22)17(25)26-19/h4-8H,9-10H2,1-3H3,(H2,25,26)/t18-,19-/m1/s1.
What are the key properties of 2-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methylfuran-2-yl)ethanone?
2-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methylfuran-2-yl)ethanone has a molecular weight of 396.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methylfuran-2-yl)ethanone is sourced from PubChem (CID 158303314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).