N-[(3R,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide

C11H12N4O3 — CID 166381470

IUPACN-[(3R,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1O)c1cnc2[nH]ccc2n1
InChIInChI=1S/C11H12N4O3/c16-9-5-18-4-8(9)15-11(17)7-3-13-10-6(14-7)1-2-12-10/h1-3,8-9,16H,4-5H2,(H,12,13)(H,15,17)/t8-,9-/m1/s1
InChIKeyGGKULSKUZSCSMN-RKDXNWHRSA-N
MW248.24 g/mol
LogP-0.55
Rot. Bonds2

About N-[(3R,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide

N-[(3R,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide (PubChem CID 166381470) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-[(3R,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide
PubChem CID166381470
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC NameN-[(3R,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1O)c1cnc2[nH]ccc2n1
InChIInChI=1S/C11H12N4O3/c16-9-5-18-4-8(9)15-11(17)7-3-13-10-6(14-7)1-2-12-10/h1-3,8-9,16H,4-5H2,(H,12,13)(H,15,17)/t8-,9-/m1/s1
InChIKeyGGKULSKUZSCSMN-RKDXNWHRSA-N
XLogP-0.55
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4S)-4-hydroxyoxolan-3-yl]-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-[(3R,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide (CID 166381470) is N-[(3R,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide is O=C(N[C@@H]1COC[C@H]1O)c1cnc2[nH]ccc2n1.
What is the InChIKey of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide?
The InChIKey is GGKULSKUZSCSMN-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H12N4O3/c16-9-5-18-4-8(9)15-11(17)7-3-13-10-6(14-7)1-2-12-10/h1-3,8-9,16H,4-5H2,(H,12,13)(H,15,17)/t8-,9-/m1/s1.
What are the key properties of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide?
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide has a molecular weight of 248.24 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide is sourced from PubChem (CID 166381470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).