4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide

C23H30N6O — CID 46389560

IUPAC4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCN(CCn2c(CC)nc3cccnc32)CC1
InChIInChI=1S/C23H30N6O/c1-3-18-8-5-6-9-19(18)26-23(30)28-15-12-27(13-16-28)14-17-29-21(4-2)25-20-10-7-11-24-22(20)29/h5-11H,3-4,12-17H2,1-2H3,(H,26,30)
InChIKeyKWTUMTISKZIEAN-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.41
Rot. Bonds6

About 4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide

4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide (PubChem CID 46389560) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide
PubChem CID46389560
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCN(CCn2c(CC)nc3cccnc32)CC1
InChIInChI=1S/C23H30N6O/c1-3-18-8-5-6-9-19(18)26-23(30)28-15-12-27(13-16-28)14-17-29-21(4-2)25-20-10-7-11-24-22(20)29/h5-11H,3-4,12-17H2,1-2H3,(H,26,30)
InChIKeyKWTUMTISKZIEAN-UHFFFAOYSA-N
XLogP3.41
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 46389548
4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 46389546
N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
CID 46389455
N-(2-ethoxyphenyl)-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 46389515
N-(2-methoxyphenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
CID 46389453
N-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 50831448
N-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 46389499
N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 50831420
N-(4-bromo-3-methylphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 50831496
2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190
N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019941
methyl 2-[[4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 53206051

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide (CID 46389560) is 4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide is CCc1ccccc1NC(=O)N1CCN(CCn2c(CC)nc3cccnc32)CC1.
What is the InChIKey of 4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide?
The InChIKey is KWTUMTISKZIEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-3-18-8-5-6-9-19(18)26-23(30)28-15-12-27(13-16-28)14-17-29-21(4-2)25-20-10-7-11-24-22(20)29/h5-11H,3-4,12-17H2,1-2H3,(H,26,30).
What are the key properties of 4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide?
4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 46389560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).