(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone;[2-(3-iodophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone;1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one;(1-methylcyclohexyl)-[2-(3-trimethylsilylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone

C81H91BrIN13O5Si — CID 158975654

IUPAC(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone;[2-(3-iodophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone;1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one;(1-methylcyclohexyl)-[2-(3-trimethylsilylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
SMILESCC1(C(=O)c2c[nH]c3ncc(-c4cccc(I)c4)nc23)CCCCC1.CC1(C(=O)c2c[nH]c3ncc(-c4cccc(N5CCCC5=O)c4)nc23)CCCCC1.CC1(C(=O)c2c[nH]c3ncc(-c4cccc([Si](C)(C)C)c4)nc23)CCCCC1.CC1(C(=O)c2c[nH]c3ncc(Br)nc23)CCCCC1
InChIInChI=1S/C24H26N4O2.C23H29N3OSi.C20H20IN3O.C14H16BrN3O/c1-24(10-3-2-4-11-24)22(30)18-14-25-23-21(18)27-19(15-26-23)16-7-5-8-17(13-16)28-12-6-9-20(28)29;1-23(11-6-5-7-12-23)21(27)18-14-24-22-20(18)26-19(15-25-22)16-9-8-10-17(13-16)28(2,3)4;1-20(8-3-2-4-9-20)18(25)15-11-22-19-17(15)24-16(12-23-19)13-6-5-7-14(21)10-13;1-14(5-3-2-4-6-14)12(19)9-7-16-13-11(9)18-10(15)8-17-13/h5,7-8,13-15H,2-4,6,9-12H2,1H3,(H,25,26);8-10,13-15H,5-7,11-12H2,1-4H3,(H,24,25);5-7,10-12H,2-4,8-9H2,1H3,(H,22,23);7-8H,2-6H2,1H3,(H,16,17)
InChIKeyJOJADMWVXUJGKS-UHFFFAOYSA-N
MW1561.60 g/mol
LogP19.48
Rot. Bonds13

About (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone;[2-(3-iodophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone;1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one;(1-methylcyclohexyl)-[2-(3-trimethylsilylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone

(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone;[2-(3-iodophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone;1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one;(1-methylcyclohexyl)-[2-(3-trimethylsilylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone (PubChem CID 158975654) has the molecular formula C81H91BrIN13O5Si and a molecular weight of 1561.60 g/mol. Its IUPAC name is (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone;[2-(3-iodophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone;1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one;(1-methylcyclohexyl)-[2-(3-trimethylsilylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone;[2-(3-iodophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone;1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one;(1-methylcyclohexyl)-[2-(3-trimethylsilylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
PubChem CID158975654
Molecular FormulaC81H91BrIN13O5Si
Molecular Weight1561.60 g/mol
Exact Mass1559.53
IUPAC Name(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone;[2-(3-iodophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone;1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one;(1-methylcyclohexyl)-[2-(3-trimethylsilylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
SMILESCC1(C(=O)c2c[nH]c3ncc(-c4cccc(I)c4)nc23)CCCCC1.CC1(C(=O)c2c[nH]c3ncc(-c4cccc(N5CCCC5=O)c4)nc23)CCCCC1.CC1(C(=O)c2c[nH]c3ncc(-c4cccc([Si](C)(C)C)c4)nc23)CCCCC1.CC1(C(=O)c2c[nH]c3ncc(Br)nc23)CCCCC1
InChIInChI=1S/C24H26N4O2.C23H29N3OSi.C20H20IN3O.C14H16BrN3O/c1-24(10-3-2-4-11-24)22(30)18-14-25-23-21(18)27-19(15-26-23)16-7-5-8-17(13-16)28-12-6-9-20(28)29;1-23(11-6-5-7-12-23)21(27)18-14-24-22-20(18)26-19(15-25-22)16-9-8-10-17(13-16)28(2,3)4;1-20(8-3-2-4-9-20)18(25)15-11-22-19-17(15)24-16(12-23-19)13-6-5-7-14(21)10-13;1-14(5-3-2-4-6-14)12(19)9-7-16-13-11(9)18-10(15)8-17-13/h5,7-8,13-15H,2-4,6,9-12H2,1H3,(H,25,26);8-10,13-15H,5-7,11-12H2,1-4H3,(H,24,25);5-7,10-12H,2-4,8-9H2,1H3,(H,22,23);7-8H,2-6H2,1H3,(H,16,17)
InChIKeyJOJADMWVXUJGKS-UHFFFAOYSA-N
XLogP19.48
TPSA254.87 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001561.60
LogP ≤ 519.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone;[2-(3-iodophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone;1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one;(1-methylcyclohexyl)-[2-(3-trimethylsilylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone with MolForge

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Related Compounds

2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(3-iodophenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 158902387
[4-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 59540823
[2-[4-(dimethylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone
CID 68499415
[2-[4-(diethylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone
CID 68499610
[4-[3-[7-(1-ethylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 68542823
1-[2,6-bis(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[6-bromo-2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 87525418
N-[2-[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-1H-indole-3-carboxamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyclohexylpropanamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-pyrrol-1-ylbenzamide
CID 89120704
N-[2-(diethylamino)ethyl]-2-[2-methyl-6-[[6-[[7-[6-[methyl(prop-2-ynyl)carbamoyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[6-(prop-2-enylcarbamoyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carboxamide
CID 142263095
(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclopentyl)methanone;(1-methylcyclopentyl)-[2-(4-methyl-3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
CID 143853747
1-[2-[3-(4-acetyl-3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[3-(3,3-dimethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 143853815
(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone;tert-butyl 4-[4-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]piperazine-1-carboxylate;(1-methylcyclohexyl)-[2-(4-piperazin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
CID 157053260
3-[(1S)-1-[(5-acetyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-[(1S)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-[(4-methyl-1,3,5-triazin-2-yl)amino]ethyl]-2-phenylisoquinolin-1-one
CID 157144713

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone;[2-(3-iodophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone;1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one;(1-methylcyclohexyl)-[2-(3-trimethylsilylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?
The IUPAC name of (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone;[2-(3-iodophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone;1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one;(1-methylcyclohexyl)-[2-(3-trimethylsilylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone (CID 158975654) is (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone;[2-(3-iodophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone;1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one;(1-methylcyclohexyl)-[2-(3-trimethylsilylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone.
What is the SMILES notation for (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone;[2-(3-iodophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone;1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one;(1-methylcyclohexyl)-[2-(3-trimethylsilylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?
The canonical SMILES for (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone;[2-(3-iodophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone;1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one;(1-methylcyclohexyl)-[2-(3-trimethylsilylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone is CC1(C(=O)c2c[nH]c3ncc(-c4cccc(I)c4)nc23)CCCCC1.CC1(C(=O)c2c[nH]c3ncc(-c4cccc(N5CCCC5=O)c4)nc23)CCCCC1.CC1(C(=O)c2c[nH]c3ncc(-c4cccc([Si](C)(C)C)c4)nc23)CCCCC1.CC1(C(=O)c2c[nH]c3ncc(Br)nc23)CCCCC1.
What is the InChIKey of (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone;[2-(3-iodophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone;1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one;(1-methylcyclohexyl)-[2-(3-trimethylsilylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?
The InChIKey is JOJADMWVXUJGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2.C23H29N3OSi.C20H20IN3O.C14H16BrN3O/c1-24(10-3-2-4-11-24)22(30)18-14-25-23-21(18)27-19(15-26-23)16-7-5-8-17(13-16)28-12-6-9-20(28)29;1-23(11-6-5-7-12-23)21(27)18-14-24-22-20(18)26-19(15-25-22)16-9-8-10-17(13-16)28(2,3)4;1-20(8-3-2-4-9-20)18(25)15-11-22-19-17(15)24-16(12-23-19)13-6-5-7-14(21)10-13;1-14(5-3-2-4-6-14)12(19)9-7-16-13-11(9)18-10(15)8-17-13/h5,7-8,13-15H,2-4,6,9-12H2,1H3,(H,25,26);8-10,13-15H,5-7,11-12H2,1-4H3,(H,24,25);5-7,10-12H,2-4,8-9H2,1H3,(H,22,23);7-8H,2-6H2,1H3,(H,16,17).
What are the key properties of (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone;[2-(3-iodophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone;1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one;(1-methylcyclohexyl)-[2-(3-trimethylsilylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?
(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone;[2-(3-iodophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone;1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one;(1-methylcyclohexyl)-[2-(3-trimethylsilylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone has a molecular weight of 1561.60 g/mol, XLogP of 19.48, 13 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone;[2-(3-iodophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone;1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one;(1-methylcyclohexyl)-[2-(3-trimethylsilylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone is sourced from PubChem (CID 158975654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).