(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

C37H42BrN7O2 — CID 143853747

About (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

(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 (PubChem CID 143853747) has the molecular formula C37H42BrN7O2 and a molecular weight of 696.69 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 143853747
• Molecular Formula: C37H42BrN7O2
• Molecular Weight: 696.69 g/mol
• Exact Mass: 695.26
• IUPAC Name: (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
• SMILES: CC1(C(=O)c2c[nH]c3ncc(Br)nc23)CCCC1.Cc1ccc(-c2cnc3[nH]cc(C(=O)C4(C)CCCC4)c3n2)cc1N1CCCC1
• InChI: InChI=1S/C24H28N4O.C13H14BrN3O/c1-16-7-8-17(13-20(16)28-11-5-6-12-28)19-15-26-23-21(27-19)18(14-25-23)22(29)24(2)9-3-4-10-24;1-13(4-2-3-5-13)11(18)8-6-15-12-10(8)17-9(14)7-16-12/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,25,26);6-7H,2-5H2,1H3,(H,15,16)
• InChIKey: IERXASLJOBEKJF-UHFFFAOYSA-N
• XLogP: 8.78
• TPSA: 120.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.69
LogP ≤ 5	8.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CC1(C(=O)c2c[nH]c3ncc(Br)nc23)CCCC1.Cc1ccc(-c2cnc3[nH]cc(C(=O)C4(C)CCCC4)c3n2)cc1N1CCCC1.

What is the InChIKey of (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?

The InChIKey is IERXASLJOBEKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O.C13H14BrN3O/c1-16-7-8-17(13-20(16)28-11-5-6-12-28)19-15-26-23-21(27-19)18(14-25-23)22(29)24(2)9-3-4-10-24;1-13(4-2-3-5-13)11(18)8-6-15-12-10(8)17-9(14)7-16-12/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,25,26);6-7H,2-5H2,1H3,(H,15,16).

What are the key properties of (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?

(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 has a molecular weight of 696.69 g/mol, XLogP of 8.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 143853747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).