N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C23H19N5O4S — CID 71208346

IUPACN-(1,2-benzoxazol-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)Nc4noc5ccccc45)c3n2)cc1
InChIInChI=1S/C23H19N5O4S/c1-13(2)33(30,31)15-9-7-14(8-10-15)18-12-25-22-20(26-18)17(11-24-22)23(29)27-21-16-5-3-4-6-19(16)32-28-21/h3-13H,1-2H3,(H,24,25)(H,27,28,29)
InChIKeyHDGJWYBUTVEKRL-UHFFFAOYSA-N
MW461.50 g/mol
LogP4.20
Rot. Bonds5

About N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71208346) has the molecular formula C23H19N5O4S and a molecular weight of 461.50 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71208346
Molecular FormulaC23H19N5O4S
Molecular Weight461.50 g/mol
Exact Mass461.12
IUPAC NameN-(1,2-benzoxazol-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)Nc4noc5ccccc45)c3n2)cc1
InChIInChI=1S/C23H19N5O4S/c1-13(2)33(30,31)15-9-7-14(8-10-15)18-12-25-22-20(26-18)17(11-24-22)23(29)27-21-16-5-3-4-6-19(16)32-28-21/h3-13H,1-2H3,(H,24,25)(H,27,28,29)
InChIKeyHDGJWYBUTVEKRL-UHFFFAOYSA-N
XLogP4.20
TPSA130.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71208346) is N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(1,2-benzoxazol-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)Nc4noc5ccccc45)c3n2)cc1.
What is the InChIKey of N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is HDGJWYBUTVEKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4S/c1-13(2)33(30,31)15-9-7-14(8-10-15)18-12-25-22-20(26-18)17(11-24-22)23(29)27-21-16-5-3-4-6-19(16)32-28-21/h3-13H,1-2H3,(H,24,25)(H,27,28,29).
What are the key properties of N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 461.50 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71208346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).