5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one

C19H19ClF2N4O2 — CID 24900454

IUPAC5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one
SMILESCC[C@H](C)Cn1c(-c2c(F)cc(OC)cc2F)c(Cl)nc(-n2cccn2)c1=O
InChIInChI=1S/C19H19ClF2N4O2/c1-4-11(2)10-25-16(15-13(21)8-12(28-3)9-14(15)22)17(20)24-18(19(25)27)26-7-5-6-23-26/h5-9,11H,4,10H2,1-3H3/t11-/m0/s1
InChIKeyASQNPMQXIKLSHZ-NSHDSACASA-N
MW408.84 g/mol
LogP4.08
Rot. Bonds6

About 5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one

5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one (PubChem CID 24900454) has the molecular formula C19H19ClF2N4O2 and a molecular weight of 408.84 g/mol. Its IUPAC name is 5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one.

Molecular Properties

Compound Name5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one
PubChem CID24900454
Molecular FormulaC19H19ClF2N4O2
Molecular Weight408.84 g/mol
Exact Mass408.12
IUPAC Name5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one
SMILESCC[C@H](C)Cn1c(-c2c(F)cc(OC)cc2F)c(Cl)nc(-n2cccn2)c1=O
InChIInChI=1S/C19H19ClF2N4O2/c1-4-11(2)10-25-16(15-13(21)8-12(28-3)9-14(15)22)17(20)24-18(19(25)27)26-7-5-6-23-26/h5-9,11H,4,10H2,1-3H3/t11-/m0/s1
InChIKeyASQNPMQXIKLSHZ-NSHDSACASA-N
XLogP4.08
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one;hydrochloride
CID 127039512
5-chloro-6-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one
CID 24901319
5-chloro-6-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one
CID 127039511
2-(1H-pyrazol-1-yl)-N-(4-(trifluoromethoxy)benzyl)acetamide
CID 49720391
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide
CID 56781243
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide
CID 72141425
4-(4-methoxybenzyl)-5-[1-(1H-pyrazol-1-yl)ethyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50971470
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 18137049
N-{1-[1-(2-fluoro-4-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}acetamide
CID 42593691
2-[1-(2-fluoro-4-methoxybenzyl)-3-oxo-2-piperazinyl]-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 45193884
N'-(1-ethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 71857097
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-pyrazol-1-ylacetamide
CID 72134319

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one?
The IUPAC name of 5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one (CID 24900454) is 5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one.
What is the SMILES notation for 5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one?
The canonical SMILES for 5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one is CC[C@H](C)Cn1c(-c2c(F)cc(OC)cc2F)c(Cl)nc(-n2cccn2)c1=O.
What is the InChIKey of 5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one?
The InChIKey is ASQNPMQXIKLSHZ-NSHDSACASA-N. The full InChI is InChI=1S/C19H19ClF2N4O2/c1-4-11(2)10-25-16(15-13(21)8-12(28-3)9-14(15)22)17(20)24-18(19(25)27)26-7-5-6-23-26/h5-9,11H,4,10H2,1-3H3/t11-/m0/s1.
What are the key properties of 5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one?
5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one has a molecular weight of 408.84 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one is sourced from PubChem (CID 24900454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).