N,N-dimethyl-4-[7-(3-methylidene-1H-isoindol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzamide;7-(3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1-methyl-3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-[4-(oxetan-3-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,4-dihydroisoquinolin-1-one

C120H117N21O12S4 — CID 157103212

About N,N-dimethyl-4-[7-(3-methylidene-1H-isoindol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzamide;7-(3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1-methyl-3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-[4-(oxetan-3-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,4-dihydroisoquinolin-1-one

N,N-dimethyl-4-[7-(3-methylidene-1H-isoindol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzamide;7-(3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1-methyl-3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-[4-(oxetan-3-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,4-dihydroisoquinolin-1-one (PubChem CID 157103212) has the molecular formula C120H117N21O12S4 and a molecular weight of 2173.66 g/mol. Its IUPAC name is N,N-dimethyl-4-[7-(3-methylidene-1H-isoindol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzamide;7-(3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1-methyl-3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-[4-(oxetan-3-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

• Compound Name: N,N-dimethyl-4-[7-(3-methylidene-1H-isoindol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzamide;7-(3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1-methyl-3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-[4-(oxetan-3-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,4-dihydroisoquinolin-1-one
• PubChem CID: 157103212
• Molecular Formula: C120H117N21O12S4
• Molecular Weight: 2173.66 g/mol
• Exact Mass: 2171.81
• IUPAC Name: N,N-dimethyl-4-[7-(3-methylidene-1H-isoindol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzamide;7-(3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1-methyl-3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-[4-(oxetan-3-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,4-dihydroisoquinolin-1-one
• SMILES: C=C1c2ccccc2C(C)N1c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.C=C1c2ccccc2CN1c1c[nH]c2ncc(-c3ccc(C(=O)N(C)C)cc3)nc12.C=C1c2ccccc2CN1c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(N4CCc5ccccc5C4=O)c3n2)cc1.O=C1c2ccccc2CN1c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C4COC4)cc3)nc12.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H24N4O2S.C24H21N5O.C24H22N4O3S.C24H22N4O2S.C23H18N4O4S.5H2/c1-15(2)32(30,31)19-11-9-18(10-12-19)22-13-26-25-24(28-22)23(14-27-25)29-16(3)20-7-5-6-8-21(20)17(29)4;1-15-19-7-5-4-6-18(19)14-29(15)21-13-26-23-22(21)27-20(12-25-23)16-8-10-17(11-9-16)24(30)28(2)3;1-15(2)32(30,31)18-9-7-17(8-10-18)20-13-25-23-22(27-20)21(14-26-23)28-12-11-16-5-3-4-6-19(16)24(28)29;1-15(2)31(29,30)19-10-8-17(9-11-19)21-12-25-24-23(27-21)22(13-26-24)28-14-18-6-4-5-7-20(18)16(28)3;28-23-18-4-2-1-3-15(18)11-27(23)20-10-25-22-21(20)26-19(9-24-22)14-5-7-16(8-6-14)32(29,30)17-12-31-13-17;;;;;/h5-15,17H,3H2,1-2,4H3,(H,26,27);4-13H,1,14H2,2-3H3,(H,25,26);3-10,13-15H,11-12H2,1-2H3,(H,25,26);4-13,15H,3,14H2,1-2H3,(H,25,26);1-10,17H,11-13H2,(H,24,25);5*1H
• InChIKey: AFZUXXUPSVYKFP-UHFFFAOYSA-N
• XLogP: 22.67
• TPSA: 424.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2173.66
LogP ≤ 5	22.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[7-(3-methylidene-1H-isoindol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzamide;7-(3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1-methyl-3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-[4-(oxetan-3-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,4-dihydroisoquinolin-1-one?

The IUPAC name of N,N-dimethyl-4-[7-(3-methylidene-1H-isoindol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzamide;7-(3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1-methyl-3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-[4-(oxetan-3-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,4-dihydroisoquinolin-1-one (CID 157103212) is N,N-dimethyl-4-[7-(3-methylidene-1H-isoindol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzamide;7-(3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1-methyl-3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-[4-(oxetan-3-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,4-dihydroisoquinolin-1-one.

What is the SMILES notation for N,N-dimethyl-4-[7-(3-methylidene-1H-isoindol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzamide;7-(3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1-methyl-3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-[4-(oxetan-3-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,4-dihydroisoquinolin-1-one?

The canonical SMILES for N,N-dimethyl-4-[7-(3-methylidene-1H-isoindol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzamide;7-(3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1-methyl-3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-[4-(oxetan-3-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,4-dihydroisoquinolin-1-one is C=C1c2ccccc2C(C)N1c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.C=C1c2ccccc2CN1c1c[nH]c2ncc(-c3ccc(C(=O)N(C)C)cc3)nc12.C=C1c2ccccc2CN1c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(N4CCc5ccccc5C4=O)c3n2)cc1.O=C1c2ccccc2CN1c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C4COC4)cc3)nc12.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N,N-dimethyl-4-[7-(3-methylidene-1H-isoindol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzamide;7-(3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1-methyl-3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-[4-(oxetan-3-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,4-dihydroisoquinolin-1-one?

The InChIKey is AFZUXXUPSVYKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S.C24H21N5O.C24H22N4O3S.C24H22N4O2S.C23H18N4O4S.5H2/c1-15(2)32(30,31)19-11-9-18(10-12-19)22-13-26-25-24(28-22)23(14-27-25)29-16(3)20-7-5-6-8-21(20)17(29)4;1-15-19-7-5-4-6-18(19)14-29(15)21-13-26-23-22(21)27-20(12-25-23)16-8-10-17(11-9-16)24(30)28(2)3;1-15(2)32(30,31)18-9-7-17(8-10-18)20-13-25-23-22(27-20)21(14-26-23)28-12-11-16-5-3-4-6-19(16)24(28)29;1-15(2)31(29,30)19-10-8-17(9-11-19)21-12-25-24-23(27-21)22(13-26-24)28-14-18-6-4-5-7-20(18)16(28)3;28-23-18-4-2-1-3-15(18)11-27(23)20-10-25-22-21(20)26-19(9-24-22)14-5-7-16(8-6-14)32(29,30)17-12-31-13-17;;;;;/h5-15,17H,3H2,1-2,4H3,(H,26,27);4-13H,1,14H2,2-3H3,(H,25,26);3-10,13-15H,11-12H2,1-2H3,(H,25,26);4-13,15H,3,14H2,1-2H3,(H,25,26);1-10,17H,11-13H2,(H,24,25);5*1H.

What are the key properties of N,N-dimethyl-4-[7-(3-methylidene-1H-isoindol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzamide;7-(3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1-methyl-3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-[4-(oxetan-3-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,4-dihydroisoquinolin-1-one?

N,N-dimethyl-4-[7-(3-methylidene-1H-isoindol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzamide;7-(3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1-methyl-3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-[4-(oxetan-3-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 2173.66 g/mol, XLogP of 22.67, 19 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-[7-(3-methylidene-1H-isoindol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzamide;7-(3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1-methyl-3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-[4-(oxetan-3-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 157103212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).