2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C23H23N5O3S — CID 71208051

IUPAC2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCCc4ccccn4)c3n2)cc1
InChIInChI=1S/C23H23N5O3S/c1-15(2)32(30,31)18-8-6-16(7-9-18)20-14-27-22-21(28-20)19(13-26-22)23(29)25-12-10-17-5-3-4-11-24-17/h3-9,11,13-15H,10,12H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyFWAHZGPDDAVGFJ-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.17
Rot. Bonds7

About 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71208051) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71208051
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCCc4ccccn4)c3n2)cc1
InChIInChI=1S/C23H23N5O3S/c1-15(2)32(30,31)18-8-6-16(7-9-18)20-14-27-22-21(28-20)19(13-26-22)23(29)25-12-10-17-5-3-4-11-24-17/h3-9,11,13-15H,10,12H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyFWAHZGPDDAVGFJ-UHFFFAOYSA-N
XLogP3.17
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71208051) is 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCCc4ccccn4)c3n2)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is FWAHZGPDDAVGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-15(2)32(30,31)18-8-6-16(7-9-18)20-14-27-22-21(28-20)19(13-26-22)23(29)25-12-10-17-5-3-4-11-24-17/h3-9,11,13-15H,10,12H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 449.54 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71208051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).