2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone

C64H63Cl3F4N6O4 — CID 159260234

IUPAC2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone
SMILESCC(C)c1cc(CC(=O)c2ccc(Cl)cn2)ccc1F.CC(C)c1nc(CC(=O)c2ccc(Cl)cn2)ccc1F.Cc1ccc(C(=O)Cc2ccc(F)c(C(C)C)c2)nc1.Cc1cnc(C(=O)Cc2cc(Cl)c(F)c(C(C)C)c2)cn1
InChIInChI=1S/C17H18FNO.C16H16ClFN2O.C16H15ClFNO.C15H14ClFN2O/c1-11(2)14-8-13(5-6-15(14)18)9-17(20)16-7-4-12(3)10-19-16;1-9(2)12-4-11(5-13(17)16(12)18)6-15(21)14-8-19-10(3)7-20-14;1-10(2)13-7-11(3-5-14(13)18)8-16(20)15-6-4-12(17)9-19-15;1-9(2)15-12(17)5-4-11(19-15)7-14(20)13-6-3-10(16)8-18-13/h4-8,10-11H,9H2,1-3H3;4-5,7-9H,6H2,1-3H3;3-7,9-10H,8H2,1-2H3;3-6,8-9H,7H2,1-2H3
InChIKeyKWKIXIABJGDNQH-UHFFFAOYSA-N
MW1162.60 g/mol
LogP16.45
Rot. Bonds16

About 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone

2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone (PubChem CID 159260234) has the molecular formula C64H63Cl3F4N6O4 and a molecular weight of 1162.60 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone
PubChem CID159260234
Molecular FormulaC64H63Cl3F4N6O4
Molecular Weight1162.60 g/mol
Exact Mass1160.39
IUPAC Name2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone
SMILESCC(C)c1cc(CC(=O)c2ccc(Cl)cn2)ccc1F.CC(C)c1nc(CC(=O)c2ccc(Cl)cn2)ccc1F.Cc1ccc(C(=O)Cc2ccc(F)c(C(C)C)c2)nc1.Cc1cnc(C(=O)Cc2cc(Cl)c(F)c(C(C)C)c2)cn1
InChIInChI=1S/C17H18FNO.C16H16ClFN2O.C16H15ClFNO.C15H14ClFN2O/c1-11(2)14-8-13(5-6-15(14)18)9-17(20)16-7-4-12(3)10-19-16;1-9(2)12-4-11(5-13(17)16(12)18)6-15(21)14-8-19-10(3)7-20-14;1-10(2)13-7-11(3-5-14(13)18)8-16(20)15-6-4-12(17)9-19-15;1-9(2)15-12(17)5-4-11(19-15)7-14(20)13-6-3-10(16)8-18-13/h4-8,10-11H,9H2,1-3H3;4-5,7-9H,6H2,1-3H3;3-7,9-10H,8H2,1-2H3;3-6,8-9H,7H2,1-2H3
InChIKeyKWKIXIABJGDNQH-UHFFFAOYSA-N
XLogP16.45
TPSA145.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001162.60
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone
CID 159260235
2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone
CID 161484729
methyl N'-[1-[2-fluoro-5-[2-(5-methoxypyrazin-2-yl)-2-oxoethyl]phenyl]ethyl]carbamimidate
CID 58056040
2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105079337
2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105103657
2-[3-[(5S)-3-amino-5-methyl-6,7-dihydro-2H-1,4-thiazepin-5-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone
CID 147832641
1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
CID 158795728
2-(5-bromo-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105088099
1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347317
2-[3-[5-amino-3-(difluoromethyl)-6,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone
CID 158136189
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone
CID 102617766
2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105091145

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone (CID 159260234) is 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone is CC(C)c1cc(CC(=O)c2ccc(Cl)cn2)ccc1F.CC(C)c1nc(CC(=O)c2ccc(Cl)cn2)ccc1F.Cc1ccc(C(=O)Cc2ccc(F)c(C(C)C)c2)nc1.Cc1cnc(C(=O)Cc2cc(Cl)c(F)c(C(C)C)c2)cn1.
What is the InChIKey of 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone?
The InChIKey is KWKIXIABJGDNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO.C16H16ClFN2O.C16H15ClFNO.C15H14ClFN2O/c1-11(2)14-8-13(5-6-15(14)18)9-17(20)16-7-4-12(3)10-19-16;1-9(2)12-4-11(5-13(17)16(12)18)6-15(21)14-8-19-10(3)7-20-14;1-10(2)13-7-11(3-5-14(13)18)8-16(20)15-6-4-12(17)9-19-15;1-9(2)15-12(17)5-4-11(19-15)7-14(20)13-6-3-10(16)8-18-13/h4-8,10-11H,9H2,1-3H3;4-5,7-9H,6H2,1-3H3;3-7,9-10H,8H2,1-2H3;3-6,8-9H,7H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone?
2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone has a molecular weight of 1162.60 g/mol, XLogP of 16.45, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 159260234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).