3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylic acid

C16H16N6O2 — CID 155209250

IUPAC3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylic acid
SMILESCc1cc(-c2nc(C(=O)O)c(N)nc2-c2cnn(C)c2)cc(C)n1
InChIInChI=1S/C16H16N6O2/c1-8-4-10(5-9(2)19-8)12-13(11-6-18-22(3)7-11)21-15(17)14(20-12)16(23)24/h4-7H,1-3H3,(H2,17,21)(H,23,24)
InChIKeyQSZGPRNFTKAMSC-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.84
Rot. Bonds3

About 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylic acid

3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylic acid (PubChem CID 155209250) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylic acid
PubChem CID155209250
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylic acid
SMILESCc1cc(-c2nc(C(=O)O)c(N)nc2-c2cnn(C)c2)cc(C)n1
InChIInChI=1S/C16H16N6O2/c1-8-4-10(5-9(2)19-8)12-13(11-6-18-22(3)7-11)21-15(17)14(20-12)16(23)24/h4-7H,1-3H3,(H2,17,21)(H,23,24)
InChIKeyQSZGPRNFTKAMSC-UHFFFAOYSA-N
XLogP1.84
TPSA119.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylic acid (CID 155209250) is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylic acid is Cc1cc(-c2nc(C(=O)O)c(N)nc2-c2cnn(C)c2)cc(C)n1.
What is the InChIKey of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylic acid?
The InChIKey is QSZGPRNFTKAMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-8-4-10(5-9(2)19-8)12-13(11-6-18-22(3)7-11)21-15(17)14(20-12)16(23)24/h4-7H,1-3H3,(H2,17,21)(H,23,24).
What are the key properties of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylic acid?
3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 155209250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).