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

C20H22N4O4S — CID 71208057

IUPACN-(oxolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCOC4)c3n2)cc1
InChIInChI=1S/C20H22N4O4S/c1-12(2)29(26,27)15-5-3-13(4-6-15)17-10-22-19-18(24-17)16(9-21-19)20(25)23-14-7-8-28-11-14/h3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyGSHWCLKIQMDJNA-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.33
Rot. Bonds5

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

N-(oxolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71208057) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(oxolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71208057
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-(oxolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCOC4)c3n2)cc1
InChIInChI=1S/C20H22N4O4S/c1-12(2)29(26,27)15-5-3-13(4-6-15)17-10-22-19-18(24-17)16(9-21-19)20(25)23-14-7-8-28-11-14/h3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyGSHWCLKIQMDJNA-UHFFFAOYSA-N
XLogP2.33
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(oxolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71208057) is N-(oxolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(oxolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(oxolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCOC4)c3n2)cc1.
What is the InChIKey of N-(oxolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is GSHWCLKIQMDJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-12(2)29(26,27)15-5-3-13(4-6-15)17-10-22-19-18(24-17)16(9-21-19)20(25)23-14-7-8-28-11-14/h3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of N-(oxolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(oxolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71208057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).