1-bromo-2,2-dimethoxypropane;6-bromo-2-methyl-8-phenylimidazo[1,2-a]pyrazine;5-bromo-3-phenylpyrazin-2-amine

C28H29Br3N6O2 — CID 159081662

IUPAC1-bromo-2,2-dimethoxypropane;6-bromo-2-methyl-8-phenylimidazo[1,2-a]pyrazine;5-bromo-3-phenylpyrazin-2-amine
SMILESCOC(C)(CBr)OC.Cc1cn2cc(Br)nc(-c3ccccc3)c2n1.Nc1ncc(Br)nc1-c1ccccc1
InChIInChI=1S/C13H10BrN3.C10H8BrN3.C5H11BrO2/c1-9-7-17-8-11(14)16-12(13(17)15-9)10-5-3-2-4-6-10;11-8-6-13-10(12)9(14-8)7-4-2-1-3-5-7;1-5(4-6,7-2)8-3/h2-8H,1H3;1-6H,(H2,12,13);4H2,1-3H3
InChIKeyKAXYXBMJFWOGRP-UHFFFAOYSA-N
MW721.29 g/mol
LogP7.35
Rot. Bonds5

About 1-bromo-2,2-dimethoxypropane;6-bromo-2-methyl-8-phenylimidazo[1,2-a]pyrazine;5-bromo-3-phenylpyrazin-2-amine

1-bromo-2,2-dimethoxypropane;6-bromo-2-methyl-8-phenylimidazo[1,2-a]pyrazine;5-bromo-3-phenylpyrazin-2-amine (PubChem CID 159081662) has the molecular formula C28H29Br3N6O2 and a molecular weight of 721.29 g/mol. Its IUPAC name is 1-bromo-2,2-dimethoxypropane;6-bromo-2-methyl-8-phenylimidazo[1,2-a]pyrazine;5-bromo-3-phenylpyrazin-2-amine.

Molecular Properties

Compound Name1-bromo-2,2-dimethoxypropane;6-bromo-2-methyl-8-phenylimidazo[1,2-a]pyrazine;5-bromo-3-phenylpyrazin-2-amine
PubChem CID159081662
Molecular FormulaC28H29Br3N6O2
Molecular Weight721.29 g/mol
Exact Mass717.99
IUPAC Name1-bromo-2,2-dimethoxypropane;6-bromo-2-methyl-8-phenylimidazo[1,2-a]pyrazine;5-bromo-3-phenylpyrazin-2-amine
SMILESCOC(C)(CBr)OC.Cc1cn2cc(Br)nc(-c3ccccc3)c2n1.Nc1ncc(Br)nc1-c1ccccc1
InChIInChI=1S/C13H10BrN3.C10H8BrN3.C5H11BrO2/c1-9-7-17-8-11(14)16-12(13(17)15-9)10-5-3-2-4-6-10;11-8-6-13-10(12)9(14-8)7-4-2-1-3-5-7;1-5(4-6,7-2)8-3/h2-8H,1H3;1-6H,(H2,12,13);4H2,1-3H3
InChIKeyKAXYXBMJFWOGRP-UHFFFAOYSA-N
XLogP7.35
TPSA100.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.29
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-bromo-2,2-dimethoxypropane;6-bromo-2-methyl-8-phenylimidazo[1,2-a]pyrazine;5-bromo-3-phenylpyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Fazadinium Bromide
CID 6321422
Imidazopyridine 12b
CID 5329348
Imidazopyridine 12c
CID 5329349
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-methoxypropyl)amine
CID 24746385
4-(2-(4-Fluorophenyl)-7-{[(2-methoxyethyl)methylamino] methyl}imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamine
CID 24887881
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}carbamic acid methyl ester
CID 44444872
7-methyl-N-phenyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
CID 4535572
N-benzyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 44410749
6-Methyl-3-(morpholinomethyl)-2-phenylimidazo[1,2-a]pyridine
CID 3594650
N-benzyl-6-methyl-2-phenylimidazo[1,2-a]pyridin-3-amine
CID 45600231
3-(2-Methoxy-pyrimidin-4-yl)-2-phenyl-imidazo[1,2-a]pyrimidin-7-ylamine
CID 9905070
3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine
CID 10407334

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,2-dimethoxypropane;6-bromo-2-methyl-8-phenylimidazo[1,2-a]pyrazine;5-bromo-3-phenylpyrazin-2-amine?
The IUPAC name of 1-bromo-2,2-dimethoxypropane;6-bromo-2-methyl-8-phenylimidazo[1,2-a]pyrazine;5-bromo-3-phenylpyrazin-2-amine (CID 159081662) is 1-bromo-2,2-dimethoxypropane;6-bromo-2-methyl-8-phenylimidazo[1,2-a]pyrazine;5-bromo-3-phenylpyrazin-2-amine.
What is the SMILES notation for 1-bromo-2,2-dimethoxypropane;6-bromo-2-methyl-8-phenylimidazo[1,2-a]pyrazine;5-bromo-3-phenylpyrazin-2-amine?
The canonical SMILES for 1-bromo-2,2-dimethoxypropane;6-bromo-2-methyl-8-phenylimidazo[1,2-a]pyrazine;5-bromo-3-phenylpyrazin-2-amine is COC(C)(CBr)OC.Cc1cn2cc(Br)nc(-c3ccccc3)c2n1.Nc1ncc(Br)nc1-c1ccccc1.
What is the InChIKey of 1-bromo-2,2-dimethoxypropane;6-bromo-2-methyl-8-phenylimidazo[1,2-a]pyrazine;5-bromo-3-phenylpyrazin-2-amine?
The InChIKey is KAXYXBMJFWOGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3.C10H8BrN3.C5H11BrO2/c1-9-7-17-8-11(14)16-12(13(17)15-9)10-5-3-2-4-6-10;11-8-6-13-10(12)9(14-8)7-4-2-1-3-5-7;1-5(4-6,7-2)8-3/h2-8H,1H3;1-6H,(H2,12,13);4H2,1-3H3.
What are the key properties of 1-bromo-2,2-dimethoxypropane;6-bromo-2-methyl-8-phenylimidazo[1,2-a]pyrazine;5-bromo-3-phenylpyrazin-2-amine?
1-bromo-2,2-dimethoxypropane;6-bromo-2-methyl-8-phenylimidazo[1,2-a]pyrazine;5-bromo-3-phenylpyrazin-2-amine has a molecular weight of 721.29 g/mol, XLogP of 7.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,2-dimethoxypropane;6-bromo-2-methyl-8-phenylimidazo[1,2-a]pyrazine;5-bromo-3-phenylpyrazin-2-amine is sourced from PubChem (CID 159081662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).