N-[(2R)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C68H73N13O11S3 — CID 160933326

IUPACN-[(2R)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCC4CCCO4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCCc4ccccn4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC[C@H](O)c4ccccc4)c3n2)cc1.[H][H]
InChIInChI=1S/C24H24N4O4S.C23H23N5O3S.C21H24N4O4S.H2/c1-15(2)33(31,32)18-10-8-16(9-11-18)20-13-26-23-22(28-20)19(12-25-23)24(30)27-14-21(29)17-6-4-3-5-7-17;1-15(2)32(30,31)18-8-6-16(7-9-18)20-14-27-22-21(28-20)19(13-26-22)23(29)25-12-10-17-5-3-4-11-24-17;1-13(2)30(27,28)16-7-5-14(6-8-16)18-12-23-20-19(25-18)17(11-22-20)21(26)24-10-15-4-3-9-29-15;/h3-13,15,21,29H,14H2,1-2H3,(H,25,26)(H,27,30);3-9,11,13-15H,10,12H2,1-2H3,(H,25,29)(H,26,27);5-8,11-13,15H,3-4,9-10H2,1-2H3,(H,22,23)(H,24,26);1H/t21-;;;/m0.../s1
InChIKeySTNXJVRNEKMOSL-YDULTXHLSA-N
MW1344.61 g/mol
LogP9.41
Rot. Bonds20

About N-[(2R)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(2R)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 160933326) has the molecular formula C68H73N13O11S3 and a molecular weight of 1344.61 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID160933326
Molecular FormulaC68H73N13O11S3
Molecular Weight1344.61 g/mol
Exact Mass1343.47
IUPAC NameN-[(2R)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCC4CCCO4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCCc4ccccn4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC[C@H](O)c4ccccc4)c3n2)cc1.[H][H]
InChIInChI=1S/C24H24N4O4S.C23H23N5O3S.C21H24N4O4S.H2/c1-15(2)33(31,32)18-10-8-16(9-11-18)20-13-26-23-22(28-20)19(12-25-23)24(30)27-14-21(29)17-6-4-3-5-7-17;1-15(2)32(30,31)18-8-6-16(7-9-18)20-14-27-22-21(28-20)19(13-26-22)23(29)25-12-10-17-5-3-4-11-24-17;1-13(2)30(27,28)16-7-5-14(6-8-16)18-12-23-20-19(25-18)17(11-22-20)21(26)24-10-15-4-3-9-29-15;/h3-13,15,21,29H,14H2,1-2H3,(H,25,26)(H,27,30);3-9,11,13-15H,10,12H2,1-2H3,(H,25,29)(H,26,27);5-8,11-13,15H,3-4,9-10H2,1-2H3,(H,22,23)(H,24,26);1H/t21-;;;/m0.../s1
InChIKeySTNXJVRNEKMOSL-YDULTXHLSA-N
XLogP9.41
TPSA356.78 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001344.61
LogP ≤ 59.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze N-[(2R)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208014
N-[(2S)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208015
N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208178
N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208249
8-oxa-3-azabicyclo[3.2.1]octan-3-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
CID 71208340
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208371
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208626
N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208738
N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208819
N-[3-(hydroxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71217141
N-(2-hydroxy-2-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71477624
N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118281076

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 160933326) is N-[(2R)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCC4CCCO4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCCc4ccccn4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC[C@H](O)c4ccccc4)c3n2)cc1.[H][H].
What is the InChIKey of N-[(2R)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is STNXJVRNEKMOSL-YDULTXHLSA-N. The full InChI is InChI=1S/C24H24N4O4S.C23H23N5O3S.C21H24N4O4S.H2/c1-15(2)33(31,32)18-10-8-16(9-11-18)20-13-26-23-22(28-20)19(12-25-23)24(30)27-14-21(29)17-6-4-3-5-7-17;1-15(2)32(30,31)18-8-6-16(7-9-18)20-14-27-22-21(28-20)19(13-26-22)23(29)25-12-10-17-5-3-4-11-24-17;1-13(2)30(27,28)16-7-5-14(6-8-16)18-12-23-20-19(25-18)17(11-22-20)21(26)24-10-15-4-3-9-29-15;/h3-13,15,21,29H,14H2,1-2H3,(H,25,26)(H,27,30);3-9,11,13-15H,10,12H2,1-2H3,(H,25,29)(H,26,27);5-8,11-13,15H,3-4,9-10H2,1-2H3,(H,22,23)(H,24,26);1H/t21-;;;/m0.../s1.
What are the key properties of N-[(2R)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(2R)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1344.61 g/mol, XLogP of 9.41, 20 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 160933326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).