6-bromo-1H-imidazo[4,5-b]pyridine;6-bromo-1-methylimidazo[4,5-b]pyridine;carbon dioxide;1-methyl-6-[(E)-3-phenylprop-1-enyl]imidazo[4,5-b]pyridine

C30H25Br2N9O2 — CID 123949664

IUPAC6-bromo-1H-imidazo[4,5-b]pyridine;6-bromo-1-methylimidazo[4,5-b]pyridine;carbon dioxide;1-methyl-6-[(E)-3-phenylprop-1-enyl]imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc[nH]c2c1.Cn1cnc2ncc(/C=C/Cc3ccccc3)cc21.Cn1cnc2ncc(Br)cc21.O=C=O
InChIInChI=1S/C16H15N3.C7H6BrN3.C6H4BrN3.CO2/c1-19-12-18-16-15(19)10-14(11-17-16)9-5-8-13-6-3-2-4-7-13;1-11-4-10-7-6(11)2-5(8)3-9-7;7-4-1-5-6(8-2-4)10-3-9-5;2-1-3/h2-7,9-12H,8H2,1H3;2-4H,1H3;1-3H,(H,8,9,10);/b9-5+;;;
InChIKeyJZBFDESKNZCIRO-GONNCMOWSA-N
MW703.40 g/mol
LogP6.09
Rot. Bonds3

About 6-bromo-1H-imidazo[4,5-b]pyridine;6-bromo-1-methylimidazo[4,5-b]pyridine;carbon dioxide;1-methyl-6-[(E)-3-phenylprop-1-enyl]imidazo[4,5-b]pyridine

6-bromo-1H-imidazo[4,5-b]pyridine;6-bromo-1-methylimidazo[4,5-b]pyridine;carbon dioxide;1-methyl-6-[(E)-3-phenylprop-1-enyl]imidazo[4,5-b]pyridine (PubChem CID 123949664) has the molecular formula C30H25Br2N9O2 and a molecular weight of 703.40 g/mol. Its IUPAC name is 6-bromo-1H-imidazo[4,5-b]pyridine;6-bromo-1-methylimidazo[4,5-b]pyridine;carbon dioxide;1-methyl-6-[(E)-3-phenylprop-1-enyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-1H-imidazo[4,5-b]pyridine;6-bromo-1-methylimidazo[4,5-b]pyridine;carbon dioxide;1-methyl-6-[(E)-3-phenylprop-1-enyl]imidazo[4,5-b]pyridine
PubChem CID123949664
Molecular FormulaC30H25Br2N9O2
Molecular Weight703.40 g/mol
Exact Mass701.05
IUPAC Name6-bromo-1H-imidazo[4,5-b]pyridine;6-bromo-1-methylimidazo[4,5-b]pyridine;carbon dioxide;1-methyl-6-[(E)-3-phenylprop-1-enyl]imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc[nH]c2c1.Cn1cnc2ncc(/C=C/Cc3ccccc3)cc21.Cn1cnc2ncc(Br)cc21.O=C=O
InChIInChI=1S/C16H15N3.C7H6BrN3.C6H4BrN3.CO2/c1-19-12-18-16-15(19)10-14(11-17-16)9-5-8-13-6-3-2-4-7-13;1-11-4-10-7-6(11)2-5(8)3-9-7;7-4-1-5-6(8-2-4)10-3-9-5;2-1-3/h2-7,9-12H,8H2,1H3;2-4H,1H3;1-3H,(H,8,9,10);/b9-5+;;;
InChIKeyJZBFDESKNZCIRO-GONNCMOWSA-N
XLogP6.09
TPSA137.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.40
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine
CID 4573919
N-(3,5-Dibromobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-propane-1,3-diamine
CID 10365896
[4-(6-Bromo-7-piperazin-1-yl-3H-imidazo[4,5-b]pyridin-2-yl)-phenyl]-dimethylamine
CID 23585419
4-(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenzenamine
CID 44433683
N-piperidin-4-yl-6-[6-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 44448971
4-(4-(6-Bromo-7-(4-((1-methyl-1H-imidazol-2-yl)methyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)benzyl)morpholine
CID 46867015
2-(4-(6-Bromo-2-(4-(dimethylamino)phenyl)-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)-N-(pyridin-3-yl)acetamide
CID 46868503
4-(6-bromo-2-(4-(dimethylamino)phenyl)-3H-imidazo[4,5-b]pyridin-7-yl)-N-phenylpiperazine-1-carboxamide
CID 46868505
4-(6-Bromo-7-(4-phenylpiperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)-N,Ndimethylaniline
CID 46868507
4-(6-Bromo-7-(4-isobutylpiperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline
CID 46868508
4-(6-Bromo-7-(4-(1-(pyridin-4-yl)ethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline
CID 46868647
4-(6-Bromo-7-(4-(pyridin-4-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline
CID 46868649

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-imidazo[4,5-b]pyridine;6-bromo-1-methylimidazo[4,5-b]pyridine;carbon dioxide;1-methyl-6-[(E)-3-phenylprop-1-enyl]imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-1H-imidazo[4,5-b]pyridine;6-bromo-1-methylimidazo[4,5-b]pyridine;carbon dioxide;1-methyl-6-[(E)-3-phenylprop-1-enyl]imidazo[4,5-b]pyridine (CID 123949664) is 6-bromo-1H-imidazo[4,5-b]pyridine;6-bromo-1-methylimidazo[4,5-b]pyridine;carbon dioxide;1-methyl-6-[(E)-3-phenylprop-1-enyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-1H-imidazo[4,5-b]pyridine;6-bromo-1-methylimidazo[4,5-b]pyridine;carbon dioxide;1-methyl-6-[(E)-3-phenylprop-1-enyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-1H-imidazo[4,5-b]pyridine;6-bromo-1-methylimidazo[4,5-b]pyridine;carbon dioxide;1-methyl-6-[(E)-3-phenylprop-1-enyl]imidazo[4,5-b]pyridine is Brc1cnc2nc[nH]c2c1.Cn1cnc2ncc(/C=C/Cc3ccccc3)cc21.Cn1cnc2ncc(Br)cc21.O=C=O.
What is the InChIKey of 6-bromo-1H-imidazo[4,5-b]pyridine;6-bromo-1-methylimidazo[4,5-b]pyridine;carbon dioxide;1-methyl-6-[(E)-3-phenylprop-1-enyl]imidazo[4,5-b]pyridine?
The InChIKey is JZBFDESKNZCIRO-GONNCMOWSA-N. The full InChI is InChI=1S/C16H15N3.C7H6BrN3.C6H4BrN3.CO2/c1-19-12-18-16-15(19)10-14(11-17-16)9-5-8-13-6-3-2-4-7-13;1-11-4-10-7-6(11)2-5(8)3-9-7;7-4-1-5-6(8-2-4)10-3-9-5;2-1-3/h2-7,9-12H,8H2,1H3;2-4H,1H3;1-3H,(H,8,9,10);/b9-5+;;;.
What are the key properties of 6-bromo-1H-imidazo[4,5-b]pyridine;6-bromo-1-methylimidazo[4,5-b]pyridine;carbon dioxide;1-methyl-6-[(E)-3-phenylprop-1-enyl]imidazo[4,5-b]pyridine?
6-bromo-1H-imidazo[4,5-b]pyridine;6-bromo-1-methylimidazo[4,5-b]pyridine;carbon dioxide;1-methyl-6-[(E)-3-phenylprop-1-enyl]imidazo[4,5-b]pyridine has a molecular weight of 703.40 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-imidazo[4,5-b]pyridine;6-bromo-1-methylimidazo[4,5-b]pyridine;carbon dioxide;1-methyl-6-[(E)-3-phenylprop-1-enyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 123949664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).