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

C24H26N4O4S — CID 118281090

IUPACN-(5-tert-butylfuran-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)Nc4coc(C(C)(C)C)c4)c3n2)cc1
InChIInChI=1S/C24H26N4O4S/c1-14(2)33(30,31)17-8-6-15(7-9-17)19-12-26-22-21(28-19)18(11-25-22)23(29)27-16-10-20(32-13-16)24(3,4)5/h6-14H,1-5H3,(H,25,26)(H,27,29)
InChIKeyZRMAJELNXGTYBL-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.95
Rot. Bonds5

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

N-(5-tert-butylfuran-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 118281090) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-(5-tert-butylfuran-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butylfuran-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID118281090
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-(5-tert-butylfuran-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)Nc4coc(C(C)(C)C)c4)c3n2)cc1
InChIInChI=1S/C24H26N4O4S/c1-14(2)33(30,31)17-8-6-15(7-9-17)19-12-26-22-21(28-19)18(11-25-22)23(29)27-16-10-20(32-13-16)24(3,4)5/h6-14H,1-5H3,(H,25,26)(H,27,29)
InChIKeyZRMAJELNXGTYBL-UHFFFAOYSA-N
XLogP4.95
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butylfuran-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(5-tert-butylfuran-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 118281090) is N-(5-tert-butylfuran-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(5-tert-butylfuran-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(5-tert-butylfuran-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)Nc4coc(C(C)(C)C)c4)c3n2)cc1.
What is the InChIKey of N-(5-tert-butylfuran-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is ZRMAJELNXGTYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-14(2)33(30,31)17-8-6-15(7-9-17)19-12-26-22-21(28-19)18(11-25-22)23(29)27-16-10-20(32-13-16)24(3,4)5/h6-14H,1-5H3,(H,25,26)(H,27,29).
What are the key properties of N-(5-tert-butylfuran-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(5-tert-butylfuran-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butylfuran-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 118281090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).