4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine

C28H30BrClN6O — CID 46224500

IUPAC4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine
SMILESClc1ccc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(CN6CCOCC6)cc5)[nH]c34)CC2)cc1
InChIInChI=1S/C28H30BrClN6O/c29-24-17-31-28-25(26(24)36-11-9-34(10-12-36)18-21-3-7-23(30)8-4-21)32-27(33-28)22-5-1-20(2-6-22)19-35-13-15-37-16-14-35/h1-8,17H,9-16,18-19H2,(H,31,32,33)
InChIKeyIZRXRZKKTJHSGV-UHFFFAOYSA-N
MW581.95 g/mol
LogP5.20
Rot. Bonds6

About 4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine

4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine (PubChem CID 46224500) has the molecular formula C28H30BrClN6O and a molecular weight of 581.95 g/mol. Its IUPAC name is 4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine
PubChem CID46224500
Molecular FormulaC28H30BrClN6O
Molecular Weight581.95 g/mol
Exact Mass580.14
IUPAC Name4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine
SMILESClc1ccc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(CN6CCOCC6)cc5)[nH]c34)CC2)cc1
InChIInChI=1S/C28H30BrClN6O/c29-24-17-31-28-25(26(24)36-11-9-34(10-12-36)18-21-3-7-23(30)8-4-21)32-27(33-28)22-5-1-20(2-6-22)19-35-13-15-37-16-14-35/h1-8,17H,9-16,18-19H2,(H,31,32,33)
InChIKeyIZRXRZKKTJHSGV-UHFFFAOYSA-N
XLogP5.20
TPSA60.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.95
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine with MolForge

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Related Compounds

2-(2,6-dichlorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 53373594
6-Bromo-2-(4-morpholin-4-ylmethyl-phenyl)-7-(4-pyridin-3-ylmethyl-piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46866897
4-(4-(6-Bromo-7-(4-(pyrimidin-5-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)benzyl)morpholine
CID 46866898
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
4-(4-(6-bromo-7-(4-(pyridin-4-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)benzyl)morpholine
CID 53317837
6-bromo-N-methyl-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 70685230
2-(2,6-dichlorophenyl)-N-[6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-4-amine
CID 137662248
{3-[2-(2-Chloro-benzylamino)-pyrimidin-4-yl]-imidazo[1,2-a]pyrazin-8-yl}-(2-morpholin-4-yl-ethyl)-amine
CID 66546705
{3-[2-(3-Chloro-benzylamino)-pyrimidin-4-yl]-imidazo[1,2-a]pyrazin-8-yl}-(2-morpholin-4-yl-ethyl)-amine
CID 66546707
5-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 155561115
4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholin-4-ium
CID 72199492
4-[[2-(4-Chlorophenyl)-6-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 121309787

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine (CID 46224500) is 4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine is Clc1ccc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(CN6CCOCC6)cc5)[nH]c34)CC2)cc1.
What is the InChIKey of 4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine?
The InChIKey is IZRXRZKKTJHSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30BrClN6O/c29-24-17-31-28-25(26(24)36-11-9-34(10-12-36)18-21-3-7-23(30)8-4-21)32-27(33-28)22-5-1-20(2-6-22)19-35-13-15-37-16-14-35/h1-8,17H,9-16,18-19H2,(H,31,32,33).
What are the key properties of 4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine?
4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine has a molecular weight of 581.95 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 46224500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).