N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C117H119ClN22O17S5 — CID 161193460

About N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 161193460) has the molecular formula C117H119ClN22O17S5 and a molecular weight of 2301.16 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 161193460
• Molecular Formula: C117H119ClN22O17S5
• Molecular Weight: 2301.16 g/mol
• Exact Mass: 2298.74
• IUPAC Name: N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: C.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4cccc(Cl)c4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N[C@@H](C)c4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4ccc(C(N)=O)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4noc5ccccc45)c3n2)cc1.CCC1(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)CCCC1.[H][H]
• InChI: InChI=1S/C24H24N4O3S.C23H21ClN4O3S.C23H19N5O4S.C23H21N5O4S.C23H28N4O3S.CH4.H2/c1-15(2)32(30,31)19-11-9-18(10-12-19)21-14-26-23-22(28-21)20(13-25-23)24(29)27-16(3)17-7-5-4-6-8-17;1-14(2)32(30,31)18-8-6-16(7-9-18)20-13-26-22-21(28-20)19(12-25-22)23(29)27-11-15-4-3-5-17(24)10-15;1-13(2)33(30,31)15-9-7-14(8-10-15)18-12-25-22-20(26-18)17(11-24-22)23(29)27-21-16-5-3-4-6-19(16)32-28-21;1-13(2)33(31,32)17-9-5-14(6-10-17)19-12-26-22-20(28-19)18(11-25-22)23(30)27-16-7-3-15(4-8-16)21(24)29;1-4-23(11-5-6-12-23)27-22(28)18-13-24-21-20(18)26-19(14-25-21)16-7-9-17(10-8-16)31(29,30)15(2)3;;/h4-16H,1-3H3,(H,25,26)(H,27,29);3-10,12-14H,11H2,1-2H3,(H,25,26)(H,27,29);3-13H,1-2H3,(H,24,25)(H,27,28,29);3-13H,1-2H3,(H2,24,29)(H,25,26)(H,27,30);7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,25)(H,27,28);1H4;1H/t16-;;;;;;/m0....../s1
• InChIKey: UUAKSKCJDGAECY-JJALFNBNSA-N
• XLogP: 21.19
• TPSA: 593.17 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2301.16
LogP ≤ 5	21.19
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 161193460) is N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4cccc(Cl)c4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N[C@@H](C)c4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4ccc(C(N)=O)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4noc5ccccc45)c3n2)cc1.CCC1(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)CCCC1.[H][H].

What is the InChIKey of N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is UUAKSKCJDGAECY-JJALFNBNSA-N. The full InChI is InChI=1S/C24H24N4O3S.C23H21ClN4O3S.C23H19N5O4S.C23H21N5O4S.C23H28N4O3S.CH4.H2/c1-15(2)32(30,31)19-11-9-18(10-12-19)21-14-26-23-22(28-21)20(13-25-23)24(29)27-16(3)17-7-5-4-6-8-17;1-14(2)32(30,31)18-8-6-16(7-9-18)20-13-26-22-21(28-20)19(12-25-22)23(29)27-11-15-4-3-5-17(24)10-15;1-13(2)33(30,31)15-9-7-14(8-10-15)18-12-25-22-20(26-18)17(11-24-22)23(29)27-21-16-5-3-4-6-19(16)32-28-21;1-13(2)33(31,32)17-9-5-14(6-10-17)19-12-26-22-20(28-19)18(11-25-22)23(30)27-16-7-3-15(4-8-16)21(24)29;1-4-23(11-5-6-12-23)27-22(28)18-13-24-21-20(18)26-19(14-25-21)16-7-9-17(10-8-16)31(29,30)15(2)3;;/h4-16H,1-3H3,(H,25,26)(H,27,29);3-10,12-14H,11H2,1-2H3,(H,25,26)(H,27,29);3-13H,1-2H3,(H,24,25)(H,27,28,29);3-13H,1-2H3,(H2,24,29)(H,25,26)(H,27,30);7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,25)(H,27,28);1H4;1H/t16-;;;;;;/m0....../s1.

What are the key properties of N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 2301.16 g/mol, XLogP of 21.19, 29 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,2-benzoxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-carbamoylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen;N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 161193460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).