7-ethynyl-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-[5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-1,2-oxazole;3-phenyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole

C79H67N11O12S5 — CID 158792312

IUPAC7-ethynyl-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-[5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-1,2-oxazole;3-phenyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole
SMILESC#Cc1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cc(-c5ccccc5)no4)c3n2)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(-c4ccccc4)no3)c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc32)cc1
InChIInChI=1S/C31H26N4O5S2.C24H20N4O3S.C24H21N3O4S2/c1-20(2)41(36,37)24-15-11-23(12-16-24)28-18-32-31-30(33-28)26(29-17-27(34-40-29)22-7-5-4-6-8-22)19-35(31)42(38,39)25-13-9-21(3)10-14-25;1-15(2)32(29,30)18-10-8-17(9-11-18)21-14-26-24-23(27-21)19(13-25-24)22-12-20(28-31-22)16-6-4-3-5-7-16;1-5-18-15-27(33(30,31)21-10-6-17(4)7-11-21)24-23(18)26-22(14-25-24)19-8-12-20(13-9-19)32(28,29)16(2)3/h4-20H,1-3H3;3-15H,1-2H3,(H,25,26);1,6-16H,2-4H3
InChIKeyISKWJXWQUHUBEP-UHFFFAOYSA-N
MW1522.80 g/mol
LogP15.08
Rot. Bonds17

About 7-ethynyl-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-[5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-1,2-oxazole;3-phenyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole

7-ethynyl-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-[5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-1,2-oxazole;3-phenyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole (PubChem CID 158792312) has the molecular formula C79H67N11O12S5 and a molecular weight of 1522.80 g/mol. Its IUPAC name is 7-ethynyl-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-[5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-1,2-oxazole;3-phenyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole.

Molecular Properties

Compound Name7-ethynyl-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-[5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-1,2-oxazole;3-phenyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole
PubChem CID158792312
Molecular FormulaC79H67N11O12S5
Molecular Weight1522.80 g/mol
Exact Mass1521.36
IUPAC Name7-ethynyl-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-[5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-1,2-oxazole;3-phenyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole
SMILESC#Cc1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cc(-c5ccccc5)no4)c3n2)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(-c4ccccc4)no3)c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc32)cc1
InChIInChI=1S/C31H26N4O5S2.C24H20N4O3S.C24H21N3O4S2/c1-20(2)41(36,37)24-15-11-23(12-16-24)28-18-32-31-30(33-28)26(29-17-27(34-40-29)22-7-5-4-6-8-22)19-35(31)42(38,39)25-13-9-21(3)10-14-25;1-15(2)32(29,30)18-10-8-17(9-11-18)21-14-26-24-23(27-21)19(13-25-24)22-12-20(28-31-22)16-6-4-3-5-7-16;1-5-18-15-27(33(30,31)21-10-6-17(4)7-11-21)24-23(18)26-22(14-25-24)19-8-12-20(13-9-19)32(28,29)16(2)3/h4-20H,1-3H3;3-15H,1-2H3,(H,25,26);1,6-16H,2-4H3
InChIKeyISKWJXWQUHUBEP-UHFFFAOYSA-N
XLogP15.08
TPSA325.75 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001522.80
LogP ≤ 515.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 7-ethynyl-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-[5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-1,2-oxazole;3-phenyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole with MolForge

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Related Compounds

5-[2-(4-Isopropylsulfonylphenyl)-5-(p-tolylsulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-isoxazole
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5-[2-(4-Isopropylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-isoxazole
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1-[3-[5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazol-3-yl]phenyl]ethanamine
CID 136172819
tert-Butyl N-[1-[3-[5-[2-(4-isopropylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoxazol-3-yl]phenyl]ethyl]carbamate
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1-[3-[5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazol-3-yl]phenyl]ethylcarbamic acid
CID 136385766
2-[3-[5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazol-3-yl]phenyl]ethylcarbamic acid
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2-[3-[5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazol-3-yl]phenyl]ethanamine
CID 136468183
3-cyclohexa-2,4-dien-1-yl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole
CID 137133808
5-[5-(4-Methylphenyl)sulfanyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-1,2-oxazole
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N-[(2-hydroxycyclohexyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenoxy-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 157071589
[1-(benzenesulfonyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-(thian-4-yl)methanol;4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(thian-4-yl)methanone;methane
CID 157308492

Frequently Asked Questions

What is the IUPAC name of 7-ethynyl-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-[5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-1,2-oxazole;3-phenyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole?
The IUPAC name of 7-ethynyl-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-[5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-1,2-oxazole;3-phenyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole (CID 158792312) is 7-ethynyl-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-[5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-1,2-oxazole;3-phenyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole.
What is the SMILES notation for 7-ethynyl-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-[5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-1,2-oxazole;3-phenyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole?
The canonical SMILES for 7-ethynyl-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-[5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-1,2-oxazole;3-phenyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole is C#Cc1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cc(-c5ccccc5)no4)c3n2)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(-c4ccccc4)no3)c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc32)cc1.
What is the InChIKey of 7-ethynyl-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-[5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-1,2-oxazole;3-phenyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole?
The InChIKey is ISKWJXWQUHUBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O5S2.C24H20N4O3S.C24H21N3O4S2/c1-20(2)41(36,37)24-15-11-23(12-16-24)28-18-32-31-30(33-28)26(29-17-27(34-40-29)22-7-5-4-6-8-22)19-35(31)42(38,39)25-13-9-21(3)10-14-25;1-15(2)32(29,30)18-10-8-17(9-11-18)21-14-26-24-23(27-21)19(13-25-24)22-12-20(28-31-22)16-6-4-3-5-7-16;1-5-18-15-27(33(30,31)21-10-6-17(4)7-11-21)24-23(18)26-22(14-25-24)19-8-12-20(13-9-19)32(28,29)16(2)3/h4-20H,1-3H3;3-15H,1-2H3,(H,25,26);1,6-16H,2-4H3.
What are the key properties of 7-ethynyl-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-[5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-1,2-oxazole;3-phenyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole?
7-ethynyl-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-[5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-1,2-oxazole;3-phenyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole has a molecular weight of 1522.80 g/mol, XLogP of 15.08, 17 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethynyl-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;5-[5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazin-7-yl]-3-phenyl-1,2-oxazole;3-phenyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole is sourced from PubChem (CID 158792312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).