6-(4-fluorophenyl)-5-[2-[(1S)-3-fluorospiro[3.3]heptan-1-yl]ethyl]pyrazine-2-carboxylic acid

C20H20F2N2O2 — CID 178088399

IUPAC6-(4-fluorophenyl)-5-[2-[(1S)-3-fluorospiro[3.3]heptan-1-yl]ethyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(CC[C@H]2CC(F)C23CCC3)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H20F2N2O2/c21-14-5-2-12(3-6-14)18-15(23-11-16(24-18)19(25)26)7-4-13-10-17(22)20(13)8-1-9-20/h2-3,5-6,11,13,17H,1,4,7-10H2,(H,25,26)/t13-,17?/m0/s1
InChIKeyCUVPUBGEWCZIEG-CWQZNGJJSA-N
MW358.39 g/mol
LogP4.44
Rot. Bonds5

About 6-(4-fluorophenyl)-5-[2-[(1S)-3-fluorospiro[3.3]heptan-1-yl]ethyl]pyrazine-2-carboxylic acid

6-(4-fluorophenyl)-5-[2-[(1S)-3-fluorospiro[3.3]heptan-1-yl]ethyl]pyrazine-2-carboxylic acid (PubChem CID 178088399) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-[2-[(1S)-3-fluorospiro[3.3]heptan-1-yl]ethyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-[2-[(1S)-3-fluorospiro[3.3]heptan-1-yl]ethyl]pyrazine-2-carboxylic acid
PubChem CID178088399
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name6-(4-fluorophenyl)-5-[2-[(1S)-3-fluorospiro[3.3]heptan-1-yl]ethyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(CC[C@H]2CC(F)C23CCC3)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H20F2N2O2/c21-14-5-2-12(3-6-14)18-15(23-11-16(24-18)19(25)26)7-4-13-10-17(22)20(13)8-1-9-20/h2-3,5-6,11,13,17H,1,4,7-10H2,(H,25,26)/t13-,17?/m0/s1
InChIKeyCUVPUBGEWCZIEG-CWQZNGJJSA-N
XLogP4.44
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(4-fluorophenyl)-5-[2-[(1S)-3-fluorospiro[3.3]heptan-1-yl]ethyl]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

5-(6,6-difluoro-4-azaspiro[2.3]hexan-4-yl)-6-(4-fluorophenyl)pyrazine-2-carboxylic acid
CID 178088426
N-ethenylsulfonyl-5-[(3S)-3-fluoro-1-azaspiro[3.3]heptan-1-yl]-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 178088449
2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid
CID 61070769
6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazine-3-carboxylic acid
CID 166105311
N-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 178088402
2-[6-(chloromethyl)-4-(4,4-dimethylpiperidin-1-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-3-pyridinyl]acetic acid
CID 126582191
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 105418652
[(2R)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95830164
2-[(dimethylamino)methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 82227419
2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 42669991
5-[4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 148800033
N-ethenylsulfonyl-6-(4-fluorophenyl)-5-[(1-methylcyclopentyl)amino]pyrazine-2-carboxamide
CID 178088451

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-[2-[(1S)-3-fluorospiro[3.3]heptan-1-yl]ethyl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-(4-fluorophenyl)-5-[2-[(1S)-3-fluorospiro[3.3]heptan-1-yl]ethyl]pyrazine-2-carboxylic acid (CID 178088399) is 6-(4-fluorophenyl)-5-[2-[(1S)-3-fluorospiro[3.3]heptan-1-yl]ethyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(4-fluorophenyl)-5-[2-[(1S)-3-fluorospiro[3.3]heptan-1-yl]ethyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(4-fluorophenyl)-5-[2-[(1S)-3-fluorospiro[3.3]heptan-1-yl]ethyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(CC[C@H]2CC(F)C23CCC3)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 6-(4-fluorophenyl)-5-[2-[(1S)-3-fluorospiro[3.3]heptan-1-yl]ethyl]pyrazine-2-carboxylic acid?
The InChIKey is CUVPUBGEWCZIEG-CWQZNGJJSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c21-14-5-2-12(3-6-14)18-15(23-11-16(24-18)19(25)26)7-4-13-10-17(22)20(13)8-1-9-20/h2-3,5-6,11,13,17H,1,4,7-10H2,(H,25,26)/t13-,17?/m0/s1.
What are the key properties of 6-(4-fluorophenyl)-5-[2-[(1S)-3-fluorospiro[3.3]heptan-1-yl]ethyl]pyrazine-2-carboxylic acid?
6-(4-fluorophenyl)-5-[2-[(1S)-3-fluorospiro[3.3]heptan-1-yl]ethyl]pyrazine-2-carboxylic acid has a molecular weight of 358.39 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-[2-[(1S)-3-fluorospiro[3.3]heptan-1-yl]ethyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 178088399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).