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

C24H24N4O4S — CID 71208371

IUPACN-[(1R)-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)N[C@@H](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)/t21-/m0/s1
InChIKeyLLXNDEVKKQTMAX-NRFANRHFSA-N
MW464.55 g/mol
LogP3.27
Rot. Bonds7

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

N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71208371) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71208371
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-[(1R)-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)N[C@@H](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)/t21-/m0/s1
InChIKeyLLXNDEVKKQTMAX-NRFANRHFSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71208371) is N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(1R)-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)N[C@@H](CO)c4ccccc4)c3n2)cc1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is LLXNDEVKKQTMAX-NRFANRHFSA-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)/t21-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(1R)-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-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71208371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).