[4-[6-bromo-7-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride

C25H25BrClN5O2 — CID 25095656

IUPAC[4-[6-bromo-7-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1ccc(-c2c(Br)cnc3nc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)[nH]c23)cc1.Cl
InChIInChI=1S/C25H24BrN5O2.ClH/c1-30-11-13-31(14-12-30)25(32)18-5-3-17(4-6-18)23-28-22-21(20(26)15-27-24(22)29-23)16-7-9-19(33-2)10-8-16;/h3-10,15H,11-14H2,1-2H3,(H,27,28,29);1H
InChIKeyIGMXQXOMSVCXLO-UHFFFAOYSA-N
MW542.87 g/mol
LogP4.87
Rot. Bonds4

About [4-[6-bromo-7-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride

[4-[6-bromo-7-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 25095656) has the molecular formula C25H25BrClN5O2 and a molecular weight of 542.87 g/mol. Its IUPAC name is [4-[6-bromo-7-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-[6-bromo-7-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID25095656
Molecular FormulaC25H25BrClN5O2
Molecular Weight542.87 g/mol
Exact Mass541.09
IUPAC Name[4-[6-bromo-7-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1ccc(-c2c(Br)cnc3nc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)[nH]c23)cc1.Cl
InChIInChI=1S/C25H24BrN5O2.ClH/c1-30-11-13-31(14-12-30)25(32)18-5-3-17(4-6-18)23-28-22-21(20(26)15-27-24(22)29-23)16-7-9-19(33-2)10-8-16;/h3-10,15H,11-14H2,1-2H3,(H,27,28,29);1H
InChIKeyIGMXQXOMSVCXLO-UHFFFAOYSA-N
XLogP4.87
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.87
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[6-bromo-7-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride 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

(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
2-[4-[6-bromo-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 122446562
4-(6-bromo-7-ethyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid
CID 145486335
[4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone
CID 25028462
1-[4-[4-[6-bromo-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]-3-methoxypropan-1-one
CID 134177434
[4-[(5-bromo-4-methylpyrimidin-2-yl)amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 143387714
6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 134176916
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
methyl 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]acetate
CID 140829764
[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl] acetate
CID 175138627
[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 55774534

Frequently Asked Questions

What is the IUPAC name of [4-[6-bromo-7-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-[6-bromo-7-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride (CID 25095656) is [4-[6-bromo-7-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-[6-bromo-7-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-[6-bromo-7-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride is COc1ccc(-c2c(Br)cnc3nc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)[nH]c23)cc1.Cl.
What is the InChIKey of [4-[6-bromo-7-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is IGMXQXOMSVCXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN5O2.ClH/c1-30-11-13-31(14-12-30)25(32)18-5-3-17(4-6-18)23-28-22-21(20(26)15-27-24(22)29-23)16-7-9-19(33-2)10-8-16;/h3-10,15H,11-14H2,1-2H3,(H,27,28,29);1H.
What are the key properties of [4-[6-bromo-7-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride?
[4-[6-bromo-7-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 542.87 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-bromo-7-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 25095656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).