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

C23H20F2N4O3S — CID 71208580

IUPACN-[(2,3-difluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4cccc(F)c4F)c3n2)cc1
InChIInChI=1S/C23H20F2N4O3S/c1-13(2)33(31,32)16-8-6-14(7-9-16)19-12-27-22-21(29-19)17(11-26-22)23(30)28-10-15-4-3-5-18(24)20(15)25/h3-9,11-13H,10H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyAZBYVYLNBZOYPW-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.02
Rot. Bonds6

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

N-[(2,3-difluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71208580) has the molecular formula C23H20F2N4O3S and a molecular weight of 470.50 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71208580
Molecular FormulaC23H20F2N4O3S
Molecular Weight470.50 g/mol
Exact Mass470.12
IUPAC NameN-[(2,3-difluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4cccc(F)c4F)c3n2)cc1
InChIInChI=1S/C23H20F2N4O3S/c1-13(2)33(31,32)16-8-6-14(7-9-16)19-12-27-22-21(29-19)17(11-26-22)23(30)28-10-15-4-3-5-18(24)20(15)25/h3-9,11-13H,10H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyAZBYVYLNBZOYPW-UHFFFAOYSA-N
XLogP4.02
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71208580) is N-[(2,3-difluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-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)NCc4cccc(F)c4F)c3n2)cc1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is AZBYVYLNBZOYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O3S/c1-13(2)33(31,32)16-8-6-14(7-9-16)19-12-27-22-21(29-19)17(11-26-22)23(30)28-10-15-4-3-5-18(24)20(15)25/h3-9,11-13H,10H2,1-2H3,(H,26,27)(H,28,30).
What are the key properties of N-[(2,3-difluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(2,3-difluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71208580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).