5-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyrazine-2-carboxylic acid

C14H17N5O3 — CID 122055511

IUPAC5-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyrazine-2-carboxylic acid
SMILESCn1cc([C@H]2OCCC[C@@H]2Nc2cnc(C(=O)O)cn2)cn1
InChIInChI=1S/C14H17N5O3/c1-19-8-9(5-17-19)13-10(3-2-4-22-13)18-12-7-15-11(6-16-12)14(20)21/h5-8,10,13H,2-4H2,1H3,(H,16,18)(H,20,21)/t10-,13+/m0/s1
InChIKeyZUXDAYUHIUNMLK-GXFFZTMASA-N
MW303.32 g/mol
LogP1.24
Rot. Bonds4

About 5-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyrazine-2-carboxylic acid

5-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyrazine-2-carboxylic acid (PubChem CID 122055511) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyrazine-2-carboxylic acid
PubChem CID122055511
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name5-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyrazine-2-carboxylic acid
SMILESCn1cc([C@H]2OCCC[C@@H]2Nc2cnc(C(=O)O)cn2)cn1
InChIInChI=1S/C14H17N5O3/c1-19-8-9(5-17-19)13-10(3-2-4-22-13)18-12-7-15-11(6-16-12)14(20)21/h5-8,10,13H,2-4H2,1H3,(H,16,18)(H,20,21)/t10-,13+/m0/s1
InChIKeyZUXDAYUHIUNMLK-GXFFZTMASA-N
XLogP1.24
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyrazine-2-carboxylic acid (CID 122055511) is 5-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyrazine-2-carboxylic acid is Cn1cc([C@H]2OCCC[C@@H]2Nc2cnc(C(=O)O)cn2)cn1.
What is the InChIKey of 5-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyrazine-2-carboxylic acid?
The InChIKey is ZUXDAYUHIUNMLK-GXFFZTMASA-N. The full InChI is InChI=1S/C14H17N5O3/c1-19-8-9(5-17-19)13-10(3-2-4-22-13)18-12-7-15-11(6-16-12)14(20)21/h5-8,10,13H,2-4H2,1H3,(H,16,18)(H,20,21)/t10-,13+/m0/s1.
What are the key properties of 5-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyrazine-2-carboxylic acid?
5-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyrazine-2-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122055511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).