N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen

C73H76ClN13O12S3 — CID 161203150

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccc5c(c4)OCO5)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(N)=O)c4ccccc4)c3n2)cc1.CC(c1cccc(Cl)c1)N(C)C(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.[H][H].[H][H].[H][H]
InChIInChI=1S/C25H25ClN4O3S.C24H23N5O4S.C24H22N4O5S.3H2/c1-15(2)34(32,33)20-10-8-17(9-11-20)22-14-28-24-23(29-22)21(13-27-24)25(31)30(4)16(3)18-6-5-7-19(26)12-18;1-14(2)34(32,33)17-10-8-15(9-11-17)19-13-27-23-21(28-19)18(12-26-23)24(31)29-20(22(25)30)16-6-4-3-5-7-16;1-14(2)34(30,31)17-6-4-16(5-7-17)19-12-26-23-22(28-19)18(11-25-23)24(29)27-10-15-3-8-20-21(9-15)33-13-32-20;;;/h5-16H,1-4H3,(H,27,28);3-14,20H,1-2H3,(H2,25,30)(H,26,27)(H,29,31);3-9,11-12,14H,10,13H2,1-2H3,(H,25,26)(H,27,29);3*1H/t;20-;;;;/m.1..../s1
InChIKeyUVGDQSRMHYICOZ-BGXLXHMXSA-N
MW1459.14 g/mol
LogP12.26
Rot. Bonds19

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen (PubChem CID 161203150) has the molecular formula C73H76ClN13O12S3 and a molecular weight of 1459.14 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
PubChem CID161203150
Molecular FormulaC73H76ClN13O12S3
Molecular Weight1459.14 g/mol
Exact Mass1457.46
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccc5c(c4)OCO5)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(N)=O)c4ccccc4)c3n2)cc1.CC(c1cccc(Cl)c1)N(C)C(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.[H][H].[H][H].[H][H]
InChIInChI=1S/C25H25ClN4O3S.C24H23N5O4S.C24H22N4O5S.3H2/c1-15(2)34(32,33)20-10-8-17(9-11-20)22-14-28-24-23(29-22)21(13-27-24)25(31)30(4)16(3)18-6-5-7-19(26)12-18;1-14(2)34(32,33)17-10-8-15(9-11-17)19-13-27-23-21(28-19)18(12-26-23)24(31)29-20(22(25)30)16-6-4-3-5-7-16;1-14(2)34(30,31)17-6-4-16(5-7-17)19-12-26-23-22(28-19)18(11-25-23)24(29)27-10-15-3-8-20-21(9-15)33-13-32-20;;;/h5-16H,1-4H3,(H,27,28);3-14,20H,1-2H3,(H2,25,30)(H,26,27)(H,29,31);3-9,11-12,14H,10,13H2,1-2H3,(H,25,26)(H,27,29);3*1H/t;20-;;;;/m.1..../s1
InChIKeyUVGDQSRMHYICOZ-BGXLXHMXSA-N
XLogP12.26
TPSA367.19 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001459.14
LogP ≤ 512.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen with MolForge

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Related Compounds

N-[3-[[4-(1,3-benzodioxol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(4-chlorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(4-methylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 160773705
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208578
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[4-(hydroxymethyl)cyclohexyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
CID 160059660

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen (CID 161203150) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccc5c(c4)OCO5)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(N)=O)c4ccccc4)c3n2)cc1.CC(c1cccc(Cl)c1)N(C)C(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.[H][H].[H][H].[H][H].
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?
The InChIKey is UVGDQSRMHYICOZ-BGXLXHMXSA-N. The full InChI is InChI=1S/C25H25ClN4O3S.C24H23N5O4S.C24H22N4O5S.3H2/c1-15(2)34(32,33)20-10-8-17(9-11-20)22-14-28-24-23(29-22)21(13-27-24)25(31)30(4)16(3)18-6-5-7-19(26)12-18;1-14(2)34(32,33)17-10-8-15(9-11-17)19-13-27-23-21(28-19)18(12-26-23)24(31)29-20(22(25)30)16-6-4-3-5-7-16;1-14(2)34(30,31)17-6-4-16(5-7-17)19-12-26-23-22(28-19)18(11-25-23)24(29)27-10-15-3-8-20-21(9-15)33-13-32-20;;;/h5-16H,1-4H3,(H,27,28);3-14,20H,1-2H3,(H2,25,30)(H,26,27)(H,29,31);3-9,11-12,14H,10,13H2,1-2H3,(H,25,26)(H,27,29);3*1H/t;20-;;;;/m.1..../s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen has a molecular weight of 1459.14 g/mol, XLogP of 12.26, 19 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen is sourced from PubChem (CID 161203150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).