2-[5-[3-(2-amino-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine

C45H36Br4N14O3S2 — CID 159121601

About 2-[5-[3-(2-amino-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine

2-[5-[3-(2-amino-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine (PubChem CID 159121601) has the molecular formula C45H36Br4N14O3S2 and a molecular weight of 1204.63 g/mol. Its IUPAC name is 2-[5-[3-(2-amino-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 2-[5-[3-(2-amino-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine
• PubChem CID: 159121601
• Molecular Formula: C45H36Br4N14O3S2
• Molecular Weight: 1204.63 g/mol
• Exact Mass: 1199.93
• IUPAC Name: 2-[5-[3-(2-amino-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine
• SMILES: Brc1cnc2[nH]ccc2c1.CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4cnc(N)s4)c3c2)c1.Nc1ncc(-c2c[nH]c3ncc(Br)cc23)s1.O=C(CBr)c1c[nH]c2ncc(Br)cc12
• InChI: InChI=1S/C19H18N6O2S.C10H7BrN4S.C9H6Br2N2O.C7H5BrN2/c1-25(2)18(27)16(26)12-3-10(5-21-6-12)11-4-13-14(8-23-17(13)22-7-11)15-9-24-19(20)28-15;11-5-1-6-7(3-14-9(6)13-2-5)8-4-15-10(12)16-8;10-2-8(14)7-4-13-9-6(7)1-5(11)3-12-9;8-6-3-5-1-2-9-7(5)10-4-6/h3-9,16,26H,1-2H3,(H2,20,24)(H,22,23);1-4H,(H2,12,15)(H,13,14);1,3-4H,2H2,(H,12,13);1-4H,(H,9,10)
• InChIKey: KFTKFQORYJBQBF-UHFFFAOYSA-N
• XLogP: 10.71
• TPSA: 263.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1204.63
LogP ≤ 5	10.71
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(2-amino-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine?

The IUPAC name of 2-[5-[3-(2-amino-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine (CID 159121601) is 2-[5-[3-(2-amino-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine.

What is the SMILES notation for 2-[5-[3-(2-amino-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine?

The canonical SMILES for 2-[5-[3-(2-amino-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine is Brc1cnc2[nH]ccc2c1.CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4cnc(N)s4)c3c2)c1.Nc1ncc(-c2c[nH]c3ncc(Br)cc23)s1.O=C(CBr)c1c[nH]c2ncc(Br)cc12.

What is the InChIKey of 2-[5-[3-(2-amino-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine?

The InChIKey is KFTKFQORYJBQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S.C10H7BrN4S.C9H6Br2N2O.C7H5BrN2/c1-25(2)18(27)16(26)12-3-10(5-21-6-12)11-4-13-14(8-23-17(13)22-7-11)15-9-24-19(20)28-15;11-5-1-6-7(3-14-9(6)13-2-5)8-4-15-10(12)16-8;10-2-8(14)7-4-13-9-6(7)1-5(11)3-12-9;8-6-3-5-1-2-9-7(5)10-4-6/h3-9,16,26H,1-2H3,(H2,20,24)(H,22,23);1-4H,(H2,12,15)(H,13,14);1,3-4H,2H2,(H,12,13);1-4H,(H,9,10).

What are the key properties of 2-[5-[3-(2-amino-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine?

2-[5-[3-(2-amino-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 1204.63 g/mol, XLogP of 10.71, 7 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[3-(2-amino-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 159121601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).