5-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]amino]pyrazine-2-carboxylic acid

C15H16FN3O3 — CID 122050315

IUPAC5-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]amino]pyrazine-2-carboxylic acid
SMILESCOC(c1ccccc1F)C(C)Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C15H16FN3O3/c1-9(14(22-2)10-5-3-4-6-11(10)16)19-13-8-17-12(7-18-13)15(20)21/h3-9,14H,1-2H3,(H,18,19)(H,20,21)
InChIKeyNXRVOTWSNQICGY-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.50
Rot. Bonds6

About 5-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]amino]pyrazine-2-carboxylic acid

5-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]amino]pyrazine-2-carboxylic acid (PubChem CID 122050315) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 5-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]amino]pyrazine-2-carboxylic acid
PubChem CID122050315
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name5-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]amino]pyrazine-2-carboxylic acid
SMILESCOC(c1ccccc1F)C(C)Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C15H16FN3O3/c1-9(14(22-2)10-5-3-4-6-11(10)16)19-13-8-17-12(7-18-13)15(20)21/h3-9,14H,1-2H3,(H,18,19)(H,20,21)
InChIKeyNXRVOTWSNQICGY-UHFFFAOYSA-N
XLogP2.50
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 122048985
5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid
CID 122048084
N-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 97258900
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 107372363
5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
CID 106190134
5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid
CID 82949530
N-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1,4-thiazepane-4-carboxamide
CID 124882759
5-[4-(4-methoxyphenyl)butan-2-ylamino]pyrazine-2-carboxylic acid
CID 122047940
5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid
CID 122052869
5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167745164
methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66456508
5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid
CID 107372454

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]amino]pyrazine-2-carboxylic acid (CID 122050315) is 5-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]amino]pyrazine-2-carboxylic acid is COC(c1ccccc1F)C(C)Nc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]amino]pyrazine-2-carboxylic acid?
The InChIKey is NXRVOTWSNQICGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-9(14(22-2)10-5-3-4-6-11(10)16)19-13-8-17-12(7-18-13)15(20)21/h3-9,14H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]amino]pyrazine-2-carboxylic acid?
5-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]amino]pyrazine-2-carboxylic acid has a molecular weight of 305.31 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122050315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).