6-[2-(6-pyridin-3-ylpyrazin-2-yl)propan-2-yl]pyrazine-2-carboxylic acid

C17H15N5O2 — CID 59399288

IUPAC6-[2-(6-pyridin-3-ylpyrazin-2-yl)propan-2-yl]pyrazine-2-carboxylic acid
SMILESCC(C)(c1cncc(C(=O)O)n1)c1cncc(-c2cccnc2)n1
InChIInChI=1S/C17H15N5O2/c1-17(2,15-10-20-8-13(22-15)16(23)24)14-9-19-7-12(21-14)11-4-3-5-18-6-11/h3-10H,1-2H3,(H,23,24)
InChIKeyYPQWNJAAORQAJU-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.35
Rot. Bonds4

About 6-[2-(6-pyridin-3-ylpyrazin-2-yl)propan-2-yl]pyrazine-2-carboxylic acid

6-[2-(6-pyridin-3-ylpyrazin-2-yl)propan-2-yl]pyrazine-2-carboxylic acid (PubChem CID 59399288) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 6-[2-(6-pyridin-3-ylpyrazin-2-yl)propan-2-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(6-pyridin-3-ylpyrazin-2-yl)propan-2-yl]pyrazine-2-carboxylic acid
PubChem CID59399288
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name6-[2-(6-pyridin-3-ylpyrazin-2-yl)propan-2-yl]pyrazine-2-carboxylic acid
SMILESCC(C)(c1cncc(C(=O)O)n1)c1cncc(-c2cccnc2)n1
InChIInChI=1S/C17H15N5O2/c1-17(2,15-10-20-8-13(22-15)16(23)24)14-9-19-7-12(21-14)11-4-3-5-18-6-11/h3-10H,1-2H3,(H,23,24)
InChIKeyYPQWNJAAORQAJU-UHFFFAOYSA-N
XLogP2.35
TPSA101.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-[6-(2,4-difluorophenyl)pyrazin-2-yl]propan-2-yl]pyrazine-2-carboxylic acid
CID 59645974
N-phenyl-6-[2-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine-2-carboxamide
CID 59399251
6-(3-phenylphenyl)pyrazine-2-carboxylic acid
CID 58774790
5-methyl-6-pyridin-3-ylpyridine-2-carboxylic acid
CID 140658207
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
tetrakis(6-pyridin-3-ylpyrazin-2-yl)silane
CID 71124249
pyrazine-2,6-dicarboxylic acid
CID 11601391
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82169826
3-pyridin-3-ylbenzoic acid
CID 2795575
2-fluoro-6-pyridin-3-ylbenzoic acid
CID 46315544
3,4-dipyridin-3-ylbenzoic acid
CID 46316417

Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-pyridin-3-ylpyrazin-2-yl)propan-2-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[2-(6-pyridin-3-ylpyrazin-2-yl)propan-2-yl]pyrazine-2-carboxylic acid (CID 59399288) is 6-[2-(6-pyridin-3-ylpyrazin-2-yl)propan-2-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(6-pyridin-3-ylpyrazin-2-yl)propan-2-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[2-(6-pyridin-3-ylpyrazin-2-yl)propan-2-yl]pyrazine-2-carboxylic acid is CC(C)(c1cncc(C(=O)O)n1)c1cncc(-c2cccnc2)n1.
What is the InChIKey of 6-[2-(6-pyridin-3-ylpyrazin-2-yl)propan-2-yl]pyrazine-2-carboxylic acid?
The InChIKey is YPQWNJAAORQAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-17(2,15-10-20-8-13(22-15)16(23)24)14-9-19-7-12(21-14)11-4-3-5-18-6-11/h3-10H,1-2H3,(H,23,24).
What are the key properties of 6-[2-(6-pyridin-3-ylpyrazin-2-yl)propan-2-yl]pyrazine-2-carboxylic acid?
6-[2-(6-pyridin-3-ylpyrazin-2-yl)propan-2-yl]pyrazine-2-carboxylic acid has a molecular weight of 321.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-pyridin-3-ylpyrazin-2-yl)propan-2-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 59399288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).