methyl 2-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrazin-2-yl]sulfanylacetate

C19H23FN4O2S — CID 133471435

IUPACmethyl 2-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrazin-2-yl]sulfanylacetate
SMILESCOC(=O)CSc1cncc(NC2CCCN(c3ccc(F)cc3C)C2)n1
InChIInChI=1S/C19H23FN4O2S/c1-13-8-14(20)5-6-16(13)24-7-3-4-15(11-24)22-17-9-21-10-18(23-17)27-12-19(25)26-2/h5-6,8-10,15H,3-4,7,11-12H2,1-2H3,(H,22,23)
InChIKeyCJIQVPAGEXEOTL-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.27
Rot. Bonds6

About methyl 2-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrazin-2-yl]sulfanylacetate

methyl 2-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrazin-2-yl]sulfanylacetate (PubChem CID 133471435) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is methyl 2-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrazin-2-yl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrazin-2-yl]sulfanylacetate
PubChem CID133471435
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC Namemethyl 2-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrazin-2-yl]sulfanylacetate
SMILESCOC(=O)CSc1cncc(NC2CCCN(c3ccc(F)cc3C)C2)n1
InChIInChI=1S/C19H23FN4O2S/c1-13-8-14(20)5-6-16(13)24-7-3-4-15(11-24)22-17-9-21-10-18(23-17)27-12-19(25)26-2/h5-6,8-10,15H,3-4,7,11-12H2,1-2H3,(H,22,23)
InChIKeyCJIQVPAGEXEOTL-UHFFFAOYSA-N
XLogP3.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrazin-2-yl]sulfanylacetate with MolForge

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Related Compounds

N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 133304646
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]acetamide
CID 119883950
1-[(3S)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-[(2S)-4-hydroxy-2-methylbutyl]urea
CID 95936376
(2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide
CID 119883938
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide
CID 124565601
N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 56791945
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride
CID 119883913
1-(4-fluoro-2-methylphenyl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine
CID 154807954
1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 136520325
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]acetamide
CID 102557463
4-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 122060207
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrazin-2-yl]sulfanylacetate?
The IUPAC name of methyl 2-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrazin-2-yl]sulfanylacetate (CID 133471435) is methyl 2-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrazin-2-yl]sulfanylacetate.
What is the SMILES notation for methyl 2-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrazin-2-yl]sulfanylacetate?
The canonical SMILES for methyl 2-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrazin-2-yl]sulfanylacetate is COC(=O)CSc1cncc(NC2CCCN(c3ccc(F)cc3C)C2)n1.
What is the InChIKey of methyl 2-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrazin-2-yl]sulfanylacetate?
The InChIKey is CJIQVPAGEXEOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2S/c1-13-8-14(20)5-6-16(13)24-7-3-4-15(11-24)22-17-9-21-10-18(23-17)27-12-19(25)26-2/h5-6,8-10,15H,3-4,7,11-12H2,1-2H3,(H,22,23).
What are the key properties of methyl 2-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrazin-2-yl]sulfanylacetate?
methyl 2-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrazin-2-yl]sulfanylacetate has a molecular weight of 390.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrazin-2-yl]sulfanylacetate is sourced from PubChem (CID 133471435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).