N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-methyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C110H120N22O15S5 — CID 158060381

IUPACN-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-methyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N(C)c4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4ccccn4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4cccnc4)c3n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/2C23H22N4O3S.C22H20N4O3S.2C21H19N5O3S.9H2/c1-15(2)31(29,30)18-11-9-16(10-12-18)20-14-25-22-21(26-20)19(13-24-22)23(28)27(3)17-7-5-4-6-8-17;1-15(2)31(29,30)18-10-8-17(9-11-18)20-14-25-22-21(27-20)19(13-24-22)23(28)26-12-16-6-4-3-5-7-16;1-14(2)30(28,29)17-10-8-15(9-11-17)19-13-24-21-20(26-19)18(12-23-21)22(27)25-16-6-4-3-5-7-16;1-13(2)30(28,29)16-7-5-14(6-8-16)18-12-24-20-19(26-18)17(11-23-20)21(27)25-15-4-3-9-22-10-15;1-13(2)30(28,29)15-8-6-14(7-9-15)17-12-24-20-19(25-17)16(11-23-20)21(27)26-18-5-3-4-10-22-18;;;;;;;;;/h4-15H,1-3H3,(H,24,25);3-11,13-15H,12H2,1-2H3,(H,24,25)(H,26,28);3-14H,1-2H3,(H,23,24)(H,25,27);3-13H,1-2H3,(H,23,24)(H,25,27);3-13H,1-2H3,(H,23,24)(H,22,26,27);9*1H
InChIKeyFKOKAYDACDTLCR-UHFFFAOYSA-N
MW2150.64 g/mol
LogP21.00
Rot. Bonds26

About N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-methyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-methyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 158060381) has the molecular formula C110H120N22O15S5 and a molecular weight of 2150.64 g/mol. Its IUPAC name is N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-methyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-methyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID158060381
Molecular FormulaC110H120N22O15S5
Molecular Weight2150.64 g/mol
Exact Mass2148.79
IUPAC NameN-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-methyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N(C)c4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4ccccn4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4cccnc4)c3n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/2C23H22N4O3S.C22H20N4O3S.2C21H19N5O3S.9H2/c1-15(2)31(29,30)18-11-9-16(10-12-18)20-14-25-22-21(26-20)19(13-24-22)23(28)27(3)17-7-5-4-6-8-17;1-15(2)31(29,30)18-10-8-17(9-11-18)20-14-25-22-21(27-20)19(13-24-22)23(28)26-12-16-6-4-3-5-7-16;1-14(2)30(28,29)17-10-8-15(9-11-17)19-13-24-21-20(26-19)18(12-23-21)22(27)25-16-6-4-3-5-7-16;1-13(2)30(28,29)16-7-5-14(6-8-16)18-12-24-20-19(26-18)17(11-23-20)21(27)25-15-4-3-9-22-10-15;1-13(2)30(28,29)15-8-6-14(7-9-15)17-12-24-20-19(25-17)16(11-23-20)21(27)26-18-5-3-4-10-22-18;;;;;;;;;/h4-15H,1-3H3,(H,24,25);3-11,13-15H,12H2,1-2H3,(H,24,25)(H,26,28);3-14H,1-2H3,(H,23,24)(H,25,27);3-13H,1-2H3,(H,23,24)(H,25,27);3-13H,1-2H3,(H,23,24)(H,22,26,27);9*1H
InChIKeyFKOKAYDACDTLCR-UHFFFAOYSA-N
XLogP21.00
TPSA541.04 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms152
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002150.64
LogP ≤ 521.00
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-methyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-methyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-methyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 158060381) is N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-methyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-methyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-methyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N(C)c4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4ccccn4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4cccnc4)c3n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-methyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is FKOKAYDACDTLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H22N4O3S.C22H20N4O3S.2C21H19N5O3S.9H2/c1-15(2)31(29,30)18-11-9-16(10-12-18)20-14-25-22-21(26-20)19(13-24-22)23(28)27(3)17-7-5-4-6-8-17;1-15(2)31(29,30)18-10-8-17(9-11-18)20-14-25-22-21(27-20)19(13-24-22)23(28)26-12-16-6-4-3-5-7-16;1-14(2)30(28,29)17-10-8-15(9-11-17)19-13-24-21-20(26-19)18(12-23-21)22(27)25-16-6-4-3-5-7-16;1-13(2)30(28,29)16-7-5-14(6-8-16)18-12-24-20-19(26-18)17(11-23-20)21(27)25-15-4-3-9-22-10-15;1-13(2)30(28,29)15-8-6-14(7-9-15)17-12-24-20-19(25-17)16(11-23-20)21(27)26-18-5-3-4-10-22-18;;;;;;;;;/h4-15H,1-3H3,(H,24,25);3-11,13-15H,12H2,1-2H3,(H,24,25)(H,26,28);3-14H,1-2H3,(H,23,24)(H,25,27);3-13H,1-2H3,(H,23,24)(H,25,27);3-13H,1-2H3,(H,23,24)(H,22,26,27);9*1H.
What are the key properties of N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-methyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-methyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 2150.64 g/mol, XLogP of 21.00, 26 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-methyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 158060381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).