7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;[2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]methanol

C89H99N13O12S4 — CID 161316288

IUPAC7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;[2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]methanol
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccccc4C(N)=O)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccccc4CO)c3n2)cc1.COCc1ccccc1-c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.COc1ccccc1-c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H23N3O3S.C22H20N4O3S.2C22H21N3O3S.7H2/c1-15(2)30(27,28)18-10-8-16(9-11-18)21-13-25-23-22(26-21)20(12-24-23)19-7-5-4-6-17(19)14-29-3;1-13(2)30(28,29)15-9-7-14(8-10-15)19-12-25-22-20(26-19)18(11-24-22)16-5-3-4-6-17(16)21(23)27;1-14(2)29(26,27)16-10-8-15(9-11-16)19-13-24-22-21(25-19)18(12-23-22)17-6-4-5-7-20(17)28-3;1-14(2)29(27,28)17-9-7-15(8-10-17)20-12-24-22-21(25-20)19(11-23-22)18-6-4-3-5-16(18)13-26;;;;;;;/h4-13,15H,14H2,1-3H3,(H,24,25);3-13H,1-2H3,(H2,23,27)(H,24,25);4-14H,1-3H3,(H,23,24);3-12,14,26H,13H2,1-2H3,(H,23,24);7*1H
InChIKeyVJNRZUYWSILJHL-UHFFFAOYSA-N
MW1671.12 g/mol
LogP18.36
Rot. Bonds21

About 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;[2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]methanol

7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;[2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]methanol (PubChem CID 161316288) has the molecular formula C89H99N13O12S4 and a molecular weight of 1671.12 g/mol. Its IUPAC name is 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;[2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;[2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]methanol
PubChem CID161316288
Molecular FormulaC89H99N13O12S4
Molecular Weight1671.12 g/mol
Exact Mass1669.64
IUPAC Name7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;[2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]methanol
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccccc4C(N)=O)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccccc4CO)c3n2)cc1.COCc1ccccc1-c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.COc1ccccc1-c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H23N3O3S.C22H20N4O3S.2C22H21N3O3S.7H2/c1-15(2)30(27,28)18-10-8-16(9-11-18)21-13-25-23-22(26-21)20(12-24-23)19-7-5-4-6-17(19)14-29-3;1-13(2)30(28,29)15-9-7-14(8-10-15)19-12-25-22-20(26-19)18(11-24-22)16-5-3-4-6-17(16)21(23)27;1-14(2)29(26,27)16-10-8-15(9-11-16)19-13-24-22-21(25-19)18(12-23-22)17-6-4-5-7-20(17)28-3;1-14(2)29(27,28)17-9-7-15(8-10-17)20-12-24-22-21(25-20)19(11-23-22)18-6-4-3-5-16(18)13-26;;;;;;;/h4-13,15H,14H2,1-3H3,(H,24,25);3-13H,1-2H3,(H2,23,27)(H,24,25);4-14H,1-3H3,(H,23,24);3-12,14,26H,13H2,1-2H3,(H,23,24);7*1H
InChIKeyVJNRZUYWSILJHL-UHFFFAOYSA-N
XLogP18.36
TPSA384.62 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms118
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001671.12
LogP ≤ 518.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;[2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;[2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]methanol?
The IUPAC name of 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;[2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]methanol (CID 161316288) is 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;[2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]methanol.
What is the SMILES notation for 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;[2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]methanol?
The canonical SMILES for 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;[2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]methanol is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccccc4C(N)=O)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccccc4CO)c3n2)cc1.COCc1ccccc1-c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.COc1ccccc1-c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;[2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]methanol?
The InChIKey is VJNRZUYWSILJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S.C22H20N4O3S.2C22H21N3O3S.7H2/c1-15(2)30(27,28)18-10-8-16(9-11-18)21-13-25-23-22(26-21)20(12-24-23)19-7-5-4-6-17(19)14-29-3;1-13(2)30(28,29)15-9-7-14(8-10-15)19-12-25-22-20(26-19)18(11-24-22)16-5-3-4-6-17(16)21(23)27;1-14(2)29(26,27)16-10-8-15(9-11-16)19-13-24-22-21(25-19)18(12-23-22)17-6-4-5-7-20(17)28-3;1-14(2)29(27,28)17-9-7-15(8-10-17)20-12-24-22-21(25-20)19(11-23-22)18-6-4-3-5-16(18)13-26;;;;;;;/h4-13,15H,14H2,1-3H3,(H,24,25);3-13H,1-2H3,(H2,23,27)(H,24,25);4-14H,1-3H3,(H,23,24);3-12,14,26H,13H2,1-2H3,(H,23,24);7*1H.
What are the key properties of 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;[2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]methanol?
7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;[2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]methanol has a molecular weight of 1671.12 g/mol, XLogP of 18.36, 21 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;[2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]methanol is sourced from PubChem (CID 161316288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).