N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide

C12H14N4O2 — CID 166294980

IUPACN-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cnc2[nH]ccc2n1
InChIInChI=1S/C12H14N4O2/c17-12(15-6-8-2-1-5-18-8)10-7-14-11-9(16-10)3-4-13-11/h3-4,7-8H,1-2,5-6H2,(H,13,14)(H,15,17)/t8-/m1/s1
InChIKeyLKXLGEBUPNQSNE-MRVPVSSYSA-N
MW246.27 g/mol
LogP0.87
Rot. Bonds3

About N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide

N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide (PubChem CID 166294980) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide
PubChem CID166294980
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cnc2[nH]ccc2n1
InChIInChI=1S/C12H14N4O2/c17-12(15-6-8-2-1-5-18-8)10-7-14-11-9(16-10)3-4-13-11/h3-4,7-8H,1-2,5-6H2,(H,13,14)(H,15,17)/t8-/m1/s1
InChIKeyLKXLGEBUPNQSNE-MRVPVSSYSA-N
XLogP0.87
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide (CID 166294980) is N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide is O=C(NC[C@H]1CCCO1)c1cnc2[nH]ccc2n1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide?
The InChIKey is LKXLGEBUPNQSNE-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-12(15-6-8-2-1-5-18-8)10-7-14-11-9(16-10)3-4-13-11/h3-4,7-8H,1-2,5-6H2,(H,13,14)(H,15,17)/t8-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide?
N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide is sourced from PubChem (CID 166294980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).