N-(3-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C71H77N13O11S3 — CID 159212127

IUPACN-(3-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(1S)-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](C)c4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4cccc(C(N)=O)c4)c3n2)cc1.CC(O)c1cccc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H24N4O4S.C24H24N4O3S.C23H21N5O4S.4H2/c1-14(2)33(31,32)19-9-7-16(8-10-19)21-13-26-23-22(28-21)20(12-25-23)24(30)27-18-6-4-5-17(11-18)15(3)29;1-15(2)32(30,31)19-11-9-18(10-12-19)21-14-26-23-22(28-21)20(13-25-23)24(29)27-16(3)17-7-5-4-6-8-17;1-13(2)33(31,32)17-8-6-14(7-9-17)19-12-26-22-20(28-19)18(11-25-22)23(30)27-16-5-3-4-15(10-16)21(24)29;;;;/h4-15,29H,1-3H3,(H,25,26)(H,27,30);4-16H,1-3H3,(H,25,26)(H,27,29);3-13H,1-2H3,(H2,24,29)(H,25,26)(H,27,30);4*1H/t;16-;;;;;/m.0...../s1
InChIKeyKQPUMZZHURQLCN-MGJQMLJGSA-N
MW1384.68 g/mol
LogP12.55
Rot. Bonds18

About N-(3-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(3-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 159212127) has the molecular formula C71H77N13O11S3 and a molecular weight of 1384.68 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID159212127
Molecular FormulaC71H77N13O11S3
Molecular Weight1384.68 g/mol
Exact Mass1383.50
IUPAC NameN-(3-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(1S)-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](C)c4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4cccc(C(N)=O)c4)c3n2)cc1.CC(O)c1cccc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H24N4O4S.C24H24N4O3S.C23H21N5O4S.4H2/c1-14(2)33(31,32)19-9-7-16(8-10-19)21-13-26-23-22(28-21)20(12-25-23)24(30)27-18-6-4-5-17(11-18)15(3)29;1-15(2)32(30,31)19-11-9-18(10-12-19)21-14-26-23-22(28-21)20(13-25-23)24(29)27-16(3)17-7-5-4-6-8-17;1-13(2)33(31,32)17-8-6-14(7-9-17)19-12-26-22-20(28-19)18(11-25-22)23(30)27-16-5-3-4-15(10-16)21(24)29;;;;/h4-15,29H,1-3H3,(H,25,26)(H,27,30);4-16H,1-3H3,(H,25,26)(H,27,29);3-13H,1-2H3,(H2,24,29)(H,25,26)(H,27,30);4*1H/t;16-;;;;;/m.0...../s1
InChIKeyKQPUMZZHURQLCN-MGJQMLJGSA-N
XLogP12.55
TPSA377.75 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001384.68
LogP ≤ 512.55
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze N-(3-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Related Compounds

N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208819
N-(3-fluoro-4-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208055
N-[(1R)-3-hydroxy-1-(3-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208079
N-(cyclobutadienyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208265
N-(2,4-dimethylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71477777
N-[(2S)-1-hydroxypentan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208310
N-[(1-hydroxycyclohexyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208431
N-[4-(2-hydroxyethyl)phenyl]-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;(3-hydroxypiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen
CID 159452763
N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118281068
N-[(4-aminophenyl)methyl]-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;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 161451058
molecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine
CID 157317773
2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 43877730

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 159212127) is N-(3-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(1S)-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](C)c4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4cccc(C(N)=O)c4)c3n2)cc1.CC(O)c1cccc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-(3-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is KQPUMZZHURQLCN-MGJQMLJGSA-N. The full InChI is InChI=1S/C24H24N4O4S.C24H24N4O3S.C23H21N5O4S.4H2/c1-14(2)33(31,32)19-9-7-16(8-10-19)21-13-26-23-22(28-21)20(12-25-23)24(30)27-18-6-4-5-17(11-18)15(3)29;1-15(2)32(30,31)19-11-9-18(10-12-19)21-14-26-23-22(28-21)20(13-25-23)24(29)27-16(3)17-7-5-4-6-8-17;1-13(2)33(31,32)17-8-6-14(7-9-17)19-12-26-22-20(28-19)18(11-25-22)23(30)27-16-5-3-4-15(10-16)21(24)29;;;;/h4-15,29H,1-3H3,(H,25,26)(H,27,30);4-16H,1-3H3,(H,25,26)(H,27,29);3-13H,1-2H3,(H2,24,29)(H,25,26)(H,27,30);4*1H/t;16-;;;;;/m.0...../s1.
What are the key properties of N-(3-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(3-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1384.68 g/mol, XLogP of 12.55, 18 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 159212127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).