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

C22H20N4O4S — CID 71217137

IUPACN-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4cccc(O)c4)c3n2)cc1
InChIInChI=1S/C22H20N4O4S/c1-13(2)31(29,30)17-8-6-14(7-9-17)19-12-24-21-20(26-19)18(11-23-21)22(28)25-15-4-3-5-16(27)10-15/h3-13,27H,1-2H3,(H,23,24)(H,25,28)
InChIKeyLEADOOVMPVAJRR-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.76
Rot. Bonds5

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

N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71217137) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71217137
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC NameN-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4cccc(O)c4)c3n2)cc1
InChIInChI=1S/C22H20N4O4S/c1-13(2)31(29,30)17-8-6-14(7-9-17)19-12-24-21-20(26-19)18(11-23-21)22(28)25-15-4-3-5-16(27)10-15/h3-13,27H,1-2H3,(H,23,24)(H,25,28)
InChIKeyLEADOOVMPVAJRR-UHFFFAOYSA-N
XLogP3.76
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-amino-6-(4-(methylsulfonyl)phenyl)pyrazin-2-yl)-1H-benzo[d]imidazol-7-ol
CID 136117296
N-[2-(4-fluoro-3-hydroxyphenyl)ethyl]-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766679
N-[2-(4-fluoro-3-hydroxyphenyl)ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766696
N-[2,4-difluoro-3-[4-(3-hydroxyanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide
CID 58316924
N-(3-fluoro-4-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208055
N-[(1S)-1-(2-fluorophenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208195
N-(4-fluorophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208209
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208349
N-(3-fluorophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208353
N-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208467
N-[(3-fluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208538
N-[(2,3-difluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208580

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71217137) is N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-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)Nc4cccc(O)c4)c3n2)cc1.
What is the InChIKey of N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is LEADOOVMPVAJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-13(2)31(29,30)17-8-6-14(7-9-17)19-12-24-21-20(26-19)18(11-23-21)22(28)25-15-4-3-5-16(27)10-15/h3-13,27H,1-2H3,(H,23,24)(H,25,28).
What are the key properties of N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71217137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).