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

C25H26N4O4S — CID 71208249

IUPACN-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOC[C@H](NC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12)c1ccccc1
InChIInChI=1S/C25H26N4O4S/c1-16(2)34(31,32)19-11-9-18(10-12-19)21-14-27-24-23(28-21)20(13-26-24)25(30)29-22(15-33-3)17-7-5-4-6-8-17/h4-14,16,22H,15H2,1-3H3,(H,26,27)(H,29,30)/t22-/m0/s1
InChIKeySZIADSRSALKWRE-QFIPXVFZSA-N
MW478.57 g/mol
LogP3.92
Rot. Bonds8

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

N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71208249) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71208249
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC NameN-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOC[C@H](NC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12)c1ccccc1
InChIInChI=1S/C25H26N4O4S/c1-16(2)34(31,32)19-11-9-18(10-12-19)21-14-27-24-23(28-21)20(13-26-24)25(30)29-22(15-33-3)17-7-5-4-6-8-17/h4-14,16,22H,15H2,1-3H3,(H,26,27)(H,29,30)/t22-/m0/s1
InChIKeySZIADSRSALKWRE-QFIPXVFZSA-N
XLogP3.92
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71208249) is N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is COC[C@H](NC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12)c1ccccc1.
What is the InChIKey of N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is SZIADSRSALKWRE-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-16(2)34(31,32)19-11-9-18(10-12-19)21-14-27-24-23(28-21)20(13-26-24)25(30)29-22(15-33-3)17-7-5-4-6-8-17/h4-14,16,22H,15H2,1-3H3,(H,26,27)(H,29,30)/t22-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71208249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).