1-[4-[5-[[7-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-2-methoxy-4-methylbenzoyl]piperazin-1-yl]ethanone;4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;1-[4-[2-methoxy-4-methyl-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone;1-[4-[2-methoxy-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone

C104H102N20O11S3 — CID 158539515

IUPAC1-[4-[5-[[7-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-2-methoxy-4-methylbenzoyl]piperazin-1-yl]ethanone;4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;1-[4-[2-methoxy-4-methyl-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone;1-[4-[2-methoxy-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone
SMILESCOc1cc(C)c(Sc2cnc3[nH]cc(-c4ccc(C(C)(C)C)cc4)c3n2)cc1C(=O)N1CCN(C(C)=O)CC1.COc1cc(C)c(Sc2cnc3[nH]cc(-c4ccccc4)c3n2)cc1C(=O)N1CCN(C(C)=O)CC1.COc1ccc(Sc2cnc3[nH]cc(-c4ccccc4)c3n2)cc1C(=O)N1CCN(C(C)=O)CC1.NC(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc(C(N)=O)cc4)c3n2)cc1
InChIInChI=1S/C31H35N5O3S.C27H27N5O3S.C26H25N5O3S.C20H15N5O2/c1-19-15-25(39-6)23(30(38)36-13-11-35(12-14-36)20(2)37)16-26(19)40-27-18-33-29-28(34-27)24(17-32-29)21-7-9-22(10-8-21)31(3,4)5;1-17-13-22(35-3)20(27(34)32-11-9-31(10-12-32)18(2)33)14-23(17)36-24-16-29-26-25(30-24)21(15-28-26)19-7-5-4-6-8-19;1-17(32)30-10-12-31(13-11-30)26(33)20-14-19(8-9-22(20)34-2)35-23-16-28-25-24(29-23)21(15-27-25)18-6-4-3-5-7-18;21-18(26)13-5-1-11(2-6-13)15-9-23-20-17(15)25-16(10-24-20)12-3-7-14(8-4-12)19(22)27/h7-10,15-18H,11-14H2,1-6H3,(H,32,33);4-8,13-16H,9-12H2,1-3H3,(H,28,29);3-9,14-16H,10-13H2,1-2H3,(H,27,28);1-10H,(H2,21,26)(H2,22,27)(H,23,24)
InChIKeyHOIQKXOXADMVHT-UHFFFAOYSA-N
MW1904.29 g/mol
LogP16.67
Rot. Bonds19

About 1-[4-[5-[[7-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-2-methoxy-4-methylbenzoyl]piperazin-1-yl]ethanone;4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;1-[4-[2-methoxy-4-methyl-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone;1-[4-[2-methoxy-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone

1-[4-[5-[[7-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-2-methoxy-4-methylbenzoyl]piperazin-1-yl]ethanone;4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;1-[4-[2-methoxy-4-methyl-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone;1-[4-[2-methoxy-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone (PubChem CID 158539515) has the molecular formula C104H102N20O11S3 and a molecular weight of 1904.29 g/mol. Its IUPAC name is 1-[4-[5-[[7-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-2-methoxy-4-methylbenzoyl]piperazin-1-yl]ethanone;4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;1-[4-[2-methoxy-4-methyl-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone;1-[4-[2-methoxy-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[[7-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-2-methoxy-4-methylbenzoyl]piperazin-1-yl]ethanone;4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;1-[4-[2-methoxy-4-methyl-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone;1-[4-[2-methoxy-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone
PubChem CID158539515
Molecular FormulaC104H102N20O11S3
Molecular Weight1904.29 g/mol
Exact Mass1902.72
IUPAC Name1-[4-[5-[[7-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-2-methoxy-4-methylbenzoyl]piperazin-1-yl]ethanone;4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;1-[4-[2-methoxy-4-methyl-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone;1-[4-[2-methoxy-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone
SMILESCOc1cc(C)c(Sc2cnc3[nH]cc(-c4ccc(C(C)(C)C)cc4)c3n2)cc1C(=O)N1CCN(C(C)=O)CC1.COc1cc(C)c(Sc2cnc3[nH]cc(-c4ccccc4)c3n2)cc1C(=O)N1CCN(C(C)=O)CC1.COc1ccc(Sc2cnc3[nH]cc(-c4ccccc4)c3n2)cc1C(=O)N1CCN(C(C)=O)CC1.NC(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc(C(N)=O)cc4)c3n2)cc1
InChIInChI=1S/C31H35N5O3S.C27H27N5O3S.C26H25N5O3S.C20H15N5O2/c1-19-15-25(39-6)23(30(38)36-13-11-35(12-14-36)20(2)37)16-26(19)40-27-18-33-29-28(34-27)24(17-32-29)21-7-9-22(10-8-21)31(3,4)5;1-17-13-22(35-3)20(27(34)32-11-9-31(10-12-32)18(2)33)14-23(17)36-24-16-29-26-25(30-24)21(15-28-26)19-7-5-4-6-8-19;1-17(32)30-10-12-31(13-11-30)26(33)20-14-19(8-9-22(20)34-2)35-23-16-28-25-24(29-23)21(15-27-25)18-6-4-3-5-7-18;21-18(26)13-5-1-11(2-6-13)15-9-23-20-17(15)25-16(10-24-20)12-3-7-14(8-4-12)19(22)27/h7-10,15-18H,11-14H2,1-6H3,(H,32,33);4-8,13-16H,9-12H2,1-3H3,(H,28,29);3-9,14-16H,10-13H2,1-2H3,(H,27,28);1-10H,(H2,21,26)(H2,22,27)(H,23,24)
InChIKeyHOIQKXOXADMVHT-UHFFFAOYSA-N
XLogP16.67
TPSA402.01 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001904.29
LogP ≤ 516.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 1-[4-[5-[[7-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-2-methoxy-4-methylbenzoyl]piperazin-1-yl]ethanone;4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;1-[4-[2-methoxy-4-methyl-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone;1-[4-[2-methoxy-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[[7-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-2-methoxy-4-methylbenzoyl]piperazin-1-yl]ethanone;4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;1-[4-[2-methoxy-4-methyl-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone;1-[4-[2-methoxy-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-[[7-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-2-methoxy-4-methylbenzoyl]piperazin-1-yl]ethanone;4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;1-[4-[2-methoxy-4-methyl-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone;1-[4-[2-methoxy-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone (CID 158539515) is 1-[4-[5-[[7-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-2-methoxy-4-methylbenzoyl]piperazin-1-yl]ethanone;4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;1-[4-[2-methoxy-4-methyl-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone;1-[4-[2-methoxy-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-[[7-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-2-methoxy-4-methylbenzoyl]piperazin-1-yl]ethanone;4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;1-[4-[2-methoxy-4-methyl-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone;1-[4-[2-methoxy-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-[[7-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-2-methoxy-4-methylbenzoyl]piperazin-1-yl]ethanone;4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;1-[4-[2-methoxy-4-methyl-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone;1-[4-[2-methoxy-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone is COc1cc(C)c(Sc2cnc3[nH]cc(-c4ccc(C(C)(C)C)cc4)c3n2)cc1C(=O)N1CCN(C(C)=O)CC1.COc1cc(C)c(Sc2cnc3[nH]cc(-c4ccccc4)c3n2)cc1C(=O)N1CCN(C(C)=O)CC1.COc1ccc(Sc2cnc3[nH]cc(-c4ccccc4)c3n2)cc1C(=O)N1CCN(C(C)=O)CC1.NC(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc(C(N)=O)cc4)c3n2)cc1.
What is the InChIKey of 1-[4-[5-[[7-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-2-methoxy-4-methylbenzoyl]piperazin-1-yl]ethanone;4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;1-[4-[2-methoxy-4-methyl-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone;1-[4-[2-methoxy-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone?
The InChIKey is HOIQKXOXADMVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3S.C27H27N5O3S.C26H25N5O3S.C20H15N5O2/c1-19-15-25(39-6)23(30(38)36-13-11-35(12-14-36)20(2)37)16-26(19)40-27-18-33-29-28(34-27)24(17-32-29)21-7-9-22(10-8-21)31(3,4)5;1-17-13-22(35-3)20(27(34)32-11-9-31(10-12-32)18(2)33)14-23(17)36-24-16-29-26-25(30-24)21(15-28-26)19-7-5-4-6-8-19;1-17(32)30-10-12-31(13-11-30)26(33)20-14-19(8-9-22(20)34-2)35-23-16-28-25-24(29-23)21(15-27-25)18-6-4-3-5-7-18;21-18(26)13-5-1-11(2-6-13)15-9-23-20-17(15)25-16(10-24-20)12-3-7-14(8-4-12)19(22)27/h7-10,15-18H,11-14H2,1-6H3,(H,32,33);4-8,13-16H,9-12H2,1-3H3,(H,28,29);3-9,14-16H,10-13H2,1-2H3,(H,27,28);1-10H,(H2,21,26)(H2,22,27)(H,23,24).
What are the key properties of 1-[4-[5-[[7-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-2-methoxy-4-methylbenzoyl]piperazin-1-yl]ethanone;4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;1-[4-[2-methoxy-4-methyl-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone;1-[4-[2-methoxy-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone?
1-[4-[5-[[7-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-2-methoxy-4-methylbenzoyl]piperazin-1-yl]ethanone;4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;1-[4-[2-methoxy-4-methyl-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone;1-[4-[2-methoxy-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone has a molecular weight of 1904.29 g/mol, XLogP of 16.67, 19 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[[7-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-2-methoxy-4-methylbenzoyl]piperazin-1-yl]ethanone;4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;1-[4-[2-methoxy-4-methyl-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone;1-[4-[2-methoxy-5-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)sulfanyl]benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 158539515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).