N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-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;methane;N-methyl-N-[1-(3-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C125H132N20O19S5 — CID 160799809

IUPACN-(2,3-dihydro-1-benzofuran-6-ylmethyl)-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;methane;N-methyl-N-[1-(3-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC.CC(=O)[C@@H](NC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12)c1ccccc1.CC(=O)[C@H](NC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12)c1ccccc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCC(CO)CC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccc5c(c4)OCC5)c3n2)cc1.Cc1cccc(C(C)N(C)C(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c1
InChIInChI=1S/C26H28N4O3S.3C25H24N4O4S.C23H28N4O4S.CH4/c1-16(2)34(32,33)21-11-9-19(10-12-21)23-15-28-25-24(29-23)22(14-27-25)26(31)30(5)18(4)20-8-6-7-17(3)13-20;1-15(2)34(31,32)19-7-5-17(6-8-19)21-14-27-24-23(29-21)20(13-26-24)25(30)28-12-16-3-4-18-9-10-33-22(18)11-16;2*1-15(2)34(32,33)19-11-9-17(10-12-19)21-14-27-24-23(28-21)20(13-26-24)25(31)29-22(16(3)30)18-7-5-4-6-8-18;1-14(2)32(30,31)18-9-5-16(6-10-18)20-12-25-22-21(27-20)19(11-24-22)23(29)26-17-7-3-15(13-28)4-8-17;/h6-16,18H,1-5H3,(H,27,28);3-8,11,13-15H,9-10,12H2,1-2H3,(H,26,27)(H,28,30);2*4-15,22H,1-3H3,(H,26,27)(H,29,31);5-6,9-12,14-15,17,28H,3-4,7-8,13H2,1-2H3,(H,24,25)(H,26,29);1H4/t;;2*22-;;/m..10../s1
InChIKeySCXPXGAAQZWRRZ-IKKRYUSGSA-N
MW2378.89 g/mol
LogP20.08
Rot. Bonds32

About N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-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;methane;N-methyl-N-[1-(3-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-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;methane;N-methyl-N-[1-(3-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 160799809) has the molecular formula C125H132N20O19S5 and a molecular weight of 2378.89 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-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;methane;N-methyl-N-[1-(3-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-6-ylmethyl)-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;methane;N-methyl-N-[1-(3-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID160799809
Molecular FormulaC125H132N20O19S5
Molecular Weight2378.89 g/mol
Exact Mass2376.86
IUPAC NameN-(2,3-dihydro-1-benzofuran-6-ylmethyl)-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;methane;N-methyl-N-[1-(3-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC.CC(=O)[C@@H](NC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12)c1ccccc1.CC(=O)[C@H](NC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12)c1ccccc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCC(CO)CC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccc5c(c4)OCC5)c3n2)cc1.Cc1cccc(C(C)N(C)C(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c1
InChIInChI=1S/C26H28N4O3S.3C25H24N4O4S.C23H28N4O4S.CH4/c1-16(2)34(32,33)21-11-9-19(10-12-21)23-15-28-25-24(29-23)22(14-27-25)26(31)30(5)18(4)20-8-6-7-17(3)13-20;1-15(2)34(31,32)19-7-5-17(6-8-19)21-14-27-24-23(29-21)20(13-26-24)25(30)28-12-16-3-4-18-9-10-33-22(18)11-16;2*1-15(2)34(32,33)19-11-9-17(10-12-19)21-14-27-24-23(28-21)20(13-26-24)25(31)29-22(16(3)30)18-7-5-4-6-8-18;1-14(2)32(30,31)18-9-5-16(6-10-18)20-12-25-22-21(27-20)19(11-24-22)23(29)26-17-7-3-15(13-28)4-8-17;/h6-16,18H,1-5H3,(H,27,28);3-8,11,13-15H,9-10,12H2,1-2H3,(H,26,27)(H,28,30);2*4-15,22H,1-3H3,(H,26,27)(H,29,31);5-6,9-12,14-15,17,28H,3-4,7-8,13H2,1-2H3,(H,24,25)(H,26,29);1H4/t;;2*22-;;/m..10../s1
InChIKeySCXPXGAAQZWRRZ-IKKRYUSGSA-N
XLogP20.08
TPSA578.86 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds32
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002378.89
LogP ≤ 520.08
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-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;methane;N-methyl-N-[1-(3-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-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;methane;N-methyl-N-[1-(3-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-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;methane;N-methyl-N-[1-(3-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 160799809) is N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-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;methane;N-methyl-N-[1-(3-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-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;methane;N-methyl-N-[1-(3-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-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;methane;N-methyl-N-[1-(3-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C.CC(=O)[C@@H](NC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12)c1ccccc1.CC(=O)[C@H](NC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12)c1ccccc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCC(CO)CC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccc5c(c4)OCC5)c3n2)cc1.Cc1cccc(C(C)N(C)C(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-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;methane;N-methyl-N-[1-(3-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is SCXPXGAAQZWRRZ-IKKRYUSGSA-N. The full InChI is InChI=1S/C26H28N4O3S.3C25H24N4O4S.C23H28N4O4S.CH4/c1-16(2)34(32,33)21-11-9-19(10-12-21)23-15-28-25-24(29-23)22(14-27-25)26(31)30(5)18(4)20-8-6-7-17(3)13-20;1-15(2)34(31,32)19-7-5-17(6-8-19)21-14-27-24-23(29-21)20(13-26-24)25(30)28-12-16-3-4-18-9-10-33-22(18)11-16;2*1-15(2)34(32,33)19-11-9-17(10-12-19)21-14-27-24-23(28-21)20(13-26-24)25(31)29-22(16(3)30)18-7-5-4-6-8-18;1-14(2)32(30,31)18-9-5-16(6-10-18)20-12-25-22-21(27-20)19(11-24-22)23(29)26-17-7-3-15(13-28)4-8-17;/h6-16,18H,1-5H3,(H,27,28);3-8,11,13-15H,9-10,12H2,1-2H3,(H,26,27)(H,28,30);2*4-15,22H,1-3H3,(H,26,27)(H,29,31);5-6,9-12,14-15,17,28H,3-4,7-8,13H2,1-2H3,(H,24,25)(H,26,29);1H4/t;;2*22-;;/m..10../s1.
What are the key properties of N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-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;methane;N-methyl-N-[1-(3-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-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;methane;N-methyl-N-[1-(3-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 2378.89 g/mol, XLogP of 20.08, 32 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-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;methane;N-methyl-N-[1-(3-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-2-oxo-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 160799809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).