(2,2-dimethylcyclopentyl) 5H-pyrrolo[2,3-b]pyrazine-7-carboxylate

C14H17N3O2 — CID 123247306

IUPAC(2,2-dimethylcyclopentyl) 5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
SMILESCC1(C)CCCC1OC(=O)c1c[nH]c2nccnc12
InChIInChI=1S/C14H17N3O2/c1-14(2)5-3-4-10(14)19-13(18)9-8-17-12-11(9)15-6-7-16-12/h6-8,10H,3-5H2,1-2H3,(H,16,17)
InChIKeyRMMXVAFRHZJGND-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.69
Rot. Bonds2

About (2,2-dimethylcyclopentyl) 5H-pyrrolo[2,3-b]pyrazine-7-carboxylate

(2,2-dimethylcyclopentyl) 5H-pyrrolo[2,3-b]pyrazine-7-carboxylate (PubChem CID 123247306) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl) 5H-pyrrolo[2,3-b]pyrazine-7-carboxylate.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl) 5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
PubChem CID123247306
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(2,2-dimethylcyclopentyl) 5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
SMILESCC1(C)CCCC1OC(=O)c1c[nH]c2nccnc12
InChIInChI=1S/C14H17N3O2/c1-14(2)5-3-4-10(14)19-13(18)9-8-17-12-11(9)15-6-7-16-12/h6-8,10H,3-5H2,1-2H3,(H,16,17)
InChIKeyRMMXVAFRHZJGND-UHFFFAOYSA-N
XLogP2.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl) 5H-pyrrolo[2,3-b]pyrazine-7-carboxylate?
The IUPAC name of (2,2-dimethylcyclopentyl) 5H-pyrrolo[2,3-b]pyrazine-7-carboxylate (CID 123247306) is (2,2-dimethylcyclopentyl) 5H-pyrrolo[2,3-b]pyrazine-7-carboxylate.
What is the SMILES notation for (2,2-dimethylcyclopentyl) 5H-pyrrolo[2,3-b]pyrazine-7-carboxylate?
The canonical SMILES for (2,2-dimethylcyclopentyl) 5H-pyrrolo[2,3-b]pyrazine-7-carboxylate is CC1(C)CCCC1OC(=O)c1c[nH]c2nccnc12.
What is the InChIKey of (2,2-dimethylcyclopentyl) 5H-pyrrolo[2,3-b]pyrazine-7-carboxylate?
The InChIKey is RMMXVAFRHZJGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2)5-3-4-10(14)19-13(18)9-8-17-12-11(9)15-6-7-16-12/h6-8,10H,3-5H2,1-2H3,(H,16,17).
What are the key properties of (2,2-dimethylcyclopentyl) 5H-pyrrolo[2,3-b]pyrazine-7-carboxylate?
(2,2-dimethylcyclopentyl) 5H-pyrrolo[2,3-b]pyrazine-7-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl) 5H-pyrrolo[2,3-b]pyrazine-7-carboxylate is sourced from PubChem (CID 123247306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).