(2R)-4-[5-cyano-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperazine-1-carboxylic acid

C15H17N7O2 — CID 151298400

IUPAC(2R)-4-[5-cyano-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(c2cnc(C#N)c(-c3cnn(C)c3)n2)CCN1C(=O)O
InChIInChI=1S/C15H17N7O2/c1-10-8-21(3-4-22(10)15(23)24)13-7-17-12(5-16)14(19-13)11-6-18-20(2)9-11/h6-7,9-10H,3-4,8H2,1-2H3,(H,23,24)/t10-/m1/s1
InChIKeyOBXCBNAFKJYXPH-SNVBAGLBSA-N
MW327.35 g/mol
LogP0.94
Rot. Bonds2

About (2R)-4-[5-cyano-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperazine-1-carboxylic acid

(2R)-4-[5-cyano-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperazine-1-carboxylic acid (PubChem CID 151298400) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is (2R)-4-[5-cyano-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[5-cyano-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperazine-1-carboxylic acid
PubChem CID151298400
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name(2R)-4-[5-cyano-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(c2cnc(C#N)c(-c3cnn(C)c3)n2)CCN1C(=O)O
InChIInChI=1S/C15H17N7O2/c1-10-8-21(3-4-22(10)15(23)24)13-7-17-12(5-16)14(19-13)11-6-18-20(2)9-11/h6-7,9-10H,3-4,8H2,1-2H3,(H,23,24)/t10-/m1/s1
InChIKeyOBXCBNAFKJYXPH-SNVBAGLBSA-N
XLogP0.94
TPSA111.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[5-cyano-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperazine-1-carboxylic acid?
The IUPAC name of (2R)-4-[5-cyano-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperazine-1-carboxylic acid (CID 151298400) is (2R)-4-[5-cyano-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2R)-4-[5-cyano-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperazine-1-carboxylic acid?
The canonical SMILES for (2R)-4-[5-cyano-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperazine-1-carboxylic acid is C[C@@H]1CN(c2cnc(C#N)c(-c3cnn(C)c3)n2)CCN1C(=O)O.
What is the InChIKey of (2R)-4-[5-cyano-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperazine-1-carboxylic acid?
The InChIKey is OBXCBNAFKJYXPH-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-10-8-21(3-4-22(10)15(23)24)13-7-17-12(5-16)14(19-13)11-6-18-20(2)9-11/h6-7,9-10H,3-4,8H2,1-2H3,(H,23,24)/t10-/m1/s1.
What are the key properties of (2R)-4-[5-cyano-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperazine-1-carboxylic acid?
(2R)-4-[5-cyano-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperazine-1-carboxylic acid has a molecular weight of 327.35 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[5-cyano-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperazine-1-carboxylic acid is sourced from PubChem (CID 151298400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).