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

C24H24N4O4S — CID 71208738

IUPACN-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC(CO)c4ccccc4)c3n2)cc1
InChIInChI=1S/C24H24N4O4S/c1-15(2)33(31,32)18-10-8-17(9-11-18)20-13-26-23-22(27-20)19(12-25-23)24(30)28-21(14-29)16-6-4-3-5-7-16/h3-13,15,21,29H,14H2,1-2H3,(H,25,26)(H,28,30)
InChIKeyLLXNDEVKKQTMAX-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.27
Rot. Bonds7

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

N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71208738) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71208738
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC(CO)c4ccccc4)c3n2)cc1
InChIInChI=1S/C24H24N4O4S/c1-15(2)33(31,32)18-10-8-17(9-11-18)20-13-26-23-22(27-20)19(12-25-23)24(30)28-21(14-29)16-6-4-3-5-7-16/h3-13,15,21,29H,14H2,1-2H3,(H,25,26)(H,28,30)
InChIKeyLLXNDEVKKQTMAX-UHFFFAOYSA-N
XLogP3.27
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[6-(4-methylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162644804
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CID 24782785
N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24784075
2,6-difluoro-N-[2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]-3-(propylsulfonylamino)benzamide
CID 44231720
N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766675
N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766769
N-[2-[4-(methanesulfonamido)phenyl]ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766788
2-(6-fluoro-1-(3-(methylsulfonyl)propyl)-1H-indazol-3-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
CID 71279507
N-tert-butyl-2-(3-(methylsulfonyl)phenylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 73295275
N-tert-butyl-2-(4-(methylsulfonyl)phenylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 73295614
3-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1r,4r)-4-(trifluoromethyl)cyclohexyl)methyl)-3H-imidazo[4,5-b]pyridine-6-carboxamide
CID 126521906
3-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(4-(trifluoromethyl)benzyl)-3H-imidazo[4,5-b]pyridine-6-carboxamide
CID 126556058

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71208738) is N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-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)NC(CO)c4ccccc4)c3n2)cc1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is LLXNDEVKKQTMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-15(2)33(31,32)18-10-8-17(9-11-18)20-13-26-23-22(27-20)19(12-25-23)24(30)28-21(14-29)16-6-4-3-5-7-16/h3-13,15,21,29H,14H2,1-2H3,(H,25,26)(H,28,30).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71208738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).