3-amino-5-(2,2-difluoroethyl)-6,7-dihydropyrrolo[2,3-b]pyrazine-2-carboxylic acid

C9H10F2N4O2 — CID 151547892

IUPAC3-amino-5-(2,2-difluoroethyl)-6,7-dihydropyrrolo[2,3-b]pyrazine-2-carboxylic acid
SMILESNc1nc2c(nc1C(=O)O)CCN2CC(F)F
InChIInChI=1S/C9H10F2N4O2/c10-5(11)3-15-2-1-4-8(15)14-7(12)6(13-4)9(16)17/h5H,1-3H2,(H2,12,14)(H,16,17)
InChIKeyPZVOCUKUTPVKQI-UHFFFAOYSA-N
MW244.20 g/mol
LogP0.38
Rot. Bonds3

About 3-amino-5-(2,2-difluoroethyl)-6,7-dihydropyrrolo[2,3-b]pyrazine-2-carboxylic acid

3-amino-5-(2,2-difluoroethyl)-6,7-dihydropyrrolo[2,3-b]pyrazine-2-carboxylic acid (PubChem CID 151547892) has the molecular formula C9H10F2N4O2 and a molecular weight of 244.20 g/mol. Its IUPAC name is 3-amino-5-(2,2-difluoroethyl)-6,7-dihydropyrrolo[2,3-b]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(2,2-difluoroethyl)-6,7-dihydropyrrolo[2,3-b]pyrazine-2-carboxylic acid
PubChem CID151547892
Molecular FormulaC9H10F2N4O2
Molecular Weight244.20 g/mol
Exact Mass244.08
IUPAC Name3-amino-5-(2,2-difluoroethyl)-6,7-dihydropyrrolo[2,3-b]pyrazine-2-carboxylic acid
SMILESNc1nc2c(nc1C(=O)O)CCN2CC(F)F
InChIInChI=1S/C9H10F2N4O2/c10-5(11)3-15-2-1-4-8(15)14-7(12)6(13-4)9(16)17/h5H,1-3H2,(H2,12,14)(H,16,17)
InChIKeyPZVOCUKUTPVKQI-UHFFFAOYSA-N
XLogP0.38
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,2-difluoroethyl)-6,7-dihydropyrrolo[2,3-b]pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-5-(2,2-difluoroethyl)-6,7-dihydropyrrolo[2,3-b]pyrazine-2-carboxylic acid (CID 151547892) is 3-amino-5-(2,2-difluoroethyl)-6,7-dihydropyrrolo[2,3-b]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(2,2-difluoroethyl)-6,7-dihydropyrrolo[2,3-b]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(2,2-difluoroethyl)-6,7-dihydropyrrolo[2,3-b]pyrazine-2-carboxylic acid is Nc1nc2c(nc1C(=O)O)CCN2CC(F)F.
What is the InChIKey of 3-amino-5-(2,2-difluoroethyl)-6,7-dihydropyrrolo[2,3-b]pyrazine-2-carboxylic acid?
The InChIKey is PZVOCUKUTPVKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4O2/c10-5(11)3-15-2-1-4-8(15)14-7(12)6(13-4)9(16)17/h5H,1-3H2,(H2,12,14)(H,16,17).
What are the key properties of 3-amino-5-(2,2-difluoroethyl)-6,7-dihydropyrrolo[2,3-b]pyrazine-2-carboxylic acid?
3-amino-5-(2,2-difluoroethyl)-6,7-dihydropyrrolo[2,3-b]pyrazine-2-carboxylic acid has a molecular weight of 244.20 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,2-difluoroethyl)-6,7-dihydropyrrolo[2,3-b]pyrazine-2-carboxylic acid is sourced from PubChem (CID 151547892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).