N-[3-[1-[3-(6-bromo-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-4-yl]phenyl]acetamide

C24H30BrN5O — CID 59365347

IUPACN-[3-[1-[3-(6-bromo-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3c(C)nc4cc(Br)c(C)nc43)CC2)c1
InChIInChI=1S/C24H30BrN5O/c1-16-22(25)15-23-24(26-16)30(17(2)27-23)11-5-10-29-12-8-19(9-13-29)20-6-4-7-21(14-20)28-18(3)31/h4,6-7,14-15,19H,5,8-13H2,1-3H3,(H,28,31)
InChIKeyQGJBALKQWHAGEB-UHFFFAOYSA-N
MW484.44 g/mol
LogP5.04
Rot. Bonds6

About N-[3-[1-[3-(6-bromo-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[3-(6-bromo-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 59365347) has the molecular formula C24H30BrN5O and a molecular weight of 484.44 g/mol. Its IUPAC name is N-[3-[1-[3-(6-bromo-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-(6-bromo-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-4-yl]phenyl]acetamide
PubChem CID59365347
Molecular FormulaC24H30BrN5O
Molecular Weight484.44 g/mol
Exact Mass483.16
IUPAC NameN-[3-[1-[3-(6-bromo-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3c(C)nc4cc(Br)c(C)nc43)CC2)c1
InChIInChI=1S/C24H30BrN5O/c1-16-22(25)15-23-24(26-16)30(17(2)27-23)11-5-10-29-12-8-19(9-13-29)20-6-4-7-21(14-20)28-18(3)31/h4,6-7,14-15,19H,5,8-13H2,1-3H3,(H,28,31)
InChIKeyQGJBALKQWHAGEB-UHFFFAOYSA-N
XLogP5.04
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide
CID 25115852
N-[3-[1-[3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 59365356
N-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25116307
N-[3-[1-[3-[2-(pyridin-2-ylmethyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 59365369
N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25116781
N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25115626
N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25114289
N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide
CID 16756402
N-[3-[1-[3-[2-(2-chlorophenyl)-5-nitrobenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 68602814
N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-bromobenzo[g][1]benzofuran-2-carboxamide
CID 72715430
N-[3-[1-[3-(4-imidazol-1-yl-1-oxophthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide
CID 142713105
N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
CID 11591644

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-(6-bromo-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-(6-bromo-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-4-yl]phenyl]acetamide (CID 59365347) is N-[3-[1-[3-(6-bromo-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-(6-bromo-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-(6-bromo-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCn3c(C)nc4cc(Br)c(C)nc43)CC2)c1.
What is the InChIKey of N-[3-[1-[3-(6-bromo-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is QGJBALKQWHAGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BrN5O/c1-16-22(25)15-23-24(26-16)30(17(2)27-23)11-5-10-29-12-8-19(9-13-29)20-6-4-7-21(14-20)28-18(3)31/h4,6-7,14-15,19H,5,8-13H2,1-3H3,(H,28,31).
What are the key properties of N-[3-[1-[3-(6-bromo-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[3-(6-bromo-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 484.44 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-(6-bromo-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 59365347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).