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;bis(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

C111H103N21O15S5 — CID 159616962

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;bis(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
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)Nc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4ccccn4)c3n2)cc1
InChIInChI=1S/2C23H22N4O3S.2C22H20N4O3S.C21H19N5O3S/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;2*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)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);2*3-14H,1-2H3,(H,23,24)(H,25,27);3-13H,1-2H3,(H,23,24)(H,22,26,27)
InChIKeyMNKAOWOPDXJUQQ-UHFFFAOYSA-N
MW2131.51 g/mol
LogP19.39
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;bis(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

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;bis(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 (PubChem CID 159616962) has the molecular formula C111H103N21O15S5 and a molecular weight of 2131.51 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;bis(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.

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;bis(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
PubChem CID159616962
Molecular FormulaC111H103N21O15S5
Molecular Weight2131.51 g/mol
Exact Mass2129.65
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;bis(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
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)Nc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4ccccn4)c3n2)cc1
InChIInChI=1S/2C23H22N4O3S.2C22H20N4O3S.C21H19N5O3S/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;2*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)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);2*3-14H,1-2H3,(H,23,24)(H,25,27);3-13H,1-2H3,(H,23,24)(H,22,26,27)
InChIKeyMNKAOWOPDXJUQQ-UHFFFAOYSA-N
XLogP19.39
TPSA528.15 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002131.51
LogP ≤ 519.39
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

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;bis(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 with MolForge

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Related Compounds

5-(benzenesulfinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8,11,11-trimethyl-1,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;5-(benzenesulfonyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3,8,11,11-tetramethyl-1,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-2,5,9-triene-7-thione;5-(benzenesulfonyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8,11,11-trimethyl-1,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8,11-dimethyl-5-phenylsulfanyl-1,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3,8,11,11-tetramethyl-7-methylimino-N-phenyl-1,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-5-amine
CID 157254125
3-[[2-(1H-indol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-N-phenyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;1-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propane-2-thione;1-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]phenyl]-2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 161025385
7-(2-ethylanilino)-2-(1H-imidazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 173154182
N-benzyl-2-(4-(isopropylsulfonyl)phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71143763
N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71207952
N-(cyclohexylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71207960
(4-methylpiperazin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
CID 71207978
2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208051
piperazin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
CID 71208066
2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208109
[3-(dimethylamino)piperidin-1-yl]-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
CID 71208139
N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208160

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;bis(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?
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;bis(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 (CID 159616962) 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;bis(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.
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;bis(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?
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;bis(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 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)Nc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4ccccn4)c3n2)cc1.
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;bis(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?
The InChIKey is MNKAOWOPDXJUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H22N4O3S.2C22H20N4O3S.C21H19N5O3S/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;2*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)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);2*3-14H,1-2H3,(H,23,24)(H,25,27);3-13H,1-2H3,(H,23,24)(H,22,26,27).
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;bis(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?
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;bis(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 has a molecular weight of 2131.51 g/mol, XLogP of 19.39, 26 rotatable bonds, 9 hydrogen bond donors, and 26 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;bis(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 is sourced from PubChem (CID 159616962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).