N-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine

C17H20N6O2S — CID 58177425

IUPACN-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
SMILESCCS(=O)(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1
InChIInChI=1S/C17H20N6O2S/c1-2-26(24,25)23-9-6-12(11-23)21-16-13(4-3-7-18-16)15-10-20-17-14(22-15)5-8-19-17/h3-5,7-8,10,12H,2,6,9,11H2,1H3,(H,18,21)(H,19,20)/t12-/m1/s1
InChIKeyXGRFWJQVCIPXOC-GFCCVEGCSA-N
MW372.45 g/mol
LogP1.86
Rot. Bonds5

About N-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine

N-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine (PubChem CID 58177425) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
PubChem CID58177425
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC NameN-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
SMILESCCS(=O)(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1
InChIInChI=1S/C17H20N6O2S/c1-2-26(24,25)23-9-6-12(11-23)21-16-13(4-3-7-18-16)15-10-20-17-14(22-15)5-8-19-17/h3-5,7-8,10,12H,2,6,9,11H2,1H3,(H,18,21)(H,19,20)/t12-/m1/s1
InChIKeyXGRFWJQVCIPXOC-GFCCVEGCSA-N
XLogP1.86
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine?
The IUPAC name of N-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine (CID 58177425) is N-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine.
What is the SMILES notation for N-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine?
The canonical SMILES for N-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine is CCS(=O)(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1.
What is the InChIKey of N-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine?
The InChIKey is XGRFWJQVCIPXOC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-2-26(24,25)23-9-6-12(11-23)21-16-13(4-3-7-18-16)15-10-20-17-14(22-15)5-8-19-17/h3-5,7-8,10,12H,2,6,9,11H2,1H3,(H,18,21)(H,19,20)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine?
N-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine has a molecular weight of 372.45 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine is sourced from PubChem (CID 58177425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).