N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide

C24H22BrN5O — CID 44522159

IUPACN-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCC(n2c(-c3ccccc3)nc3cccnc32)CC1
InChIInChI=1S/C24H22BrN5O/c25-18-8-10-19(11-9-18)27-24(31)29-15-12-20(13-16-29)30-22(17-5-2-1-3-6-17)28-21-7-4-14-26-23(21)30/h1-11,14,20H,12-13,15-16H2,(H,27,31)
InChIKeyZHMVCZVSGOLLSH-UHFFFAOYSA-N
MW476.38 g/mol
LogP5.73
Rot. Bonds3

About N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide

N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide (PubChem CID 44522159) has the molecular formula C24H22BrN5O and a molecular weight of 476.38 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
PubChem CID44522159
Molecular FormulaC24H22BrN5O
Molecular Weight476.38 g/mol
Exact Mass475.10
IUPAC NameN-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCC(n2c(-c3ccccc3)nc3cccnc32)CC1
InChIInChI=1S/C24H22BrN5O/c25-18-8-10-19(11-9-18)27-24(31)29-15-12-20(13-16-29)30-22(17-5-2-1-3-6-17)28-21-7-4-14-26-23(21)30/h1-11,14,20H,12-13,15-16H2,(H,27,31)
InChIKeyZHMVCZVSGOLLSH-UHFFFAOYSA-N
XLogP5.73
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.38
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 46286699
N-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050875
N-phenyl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286596
N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 46286582
4-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 46286561
N-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 50831448
4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline
CID 104698547
4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 46286666
N-(4-ethoxyphenyl)-4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286663
N-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 46389499
3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine
CID 46286859
N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050906

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide (CID 44522159) is N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide is O=C(Nc1ccc(Br)cc1)N1CCC(n2c(-c3ccccc3)nc3cccnc32)CC1.
What is the InChIKey of N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide?
The InChIKey is ZHMVCZVSGOLLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN5O/c25-18-8-10-19(11-9-18)27-24(31)29-15-12-20(13-16-29)30-22(17-5-2-1-3-6-17)28-21-7-4-14-26-23(21)30/h1-11,14,20H,12-13,15-16H2,(H,27,31).
What are the key properties of N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide?
N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide has a molecular weight of 476.38 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 44522159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).