N-ethyl-3-[7-(4-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]aniline

C26H28N4O — CID 143706859

IUPACN-ethyl-3-[7-(4-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]aniline
SMILESCCNc1cccc(-c2cnc3cc(-c4ccc(OC5CCNCC5)cc4)ccn23)c1
InChIInChI=1S/C26H28N4O/c1-2-28-22-5-3-4-21(16-22)25-18-29-26-17-20(12-15-30(25)26)19-6-8-23(9-7-19)31-24-10-13-27-14-11-24/h3-9,12,15-18,24,27-28H,2,10-11,13-14H2,1H3
InChIKeyAOOKIZKMRZDYJR-UHFFFAOYSA-N
MW412.54 g/mol
LogP5.23
Rot. Bonds6

About N-ethyl-3-[7-(4-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]aniline

N-ethyl-3-[7-(4-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]aniline (PubChem CID 143706859) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is N-ethyl-3-[7-(4-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]aniline.

Molecular Properties

Compound NameN-ethyl-3-[7-(4-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]aniline
PubChem CID143706859
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC NameN-ethyl-3-[7-(4-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]aniline
SMILESCCNc1cccc(-c2cnc3cc(-c4ccc(OC5CCNCC5)cc4)ccn23)c1
InChIInChI=1S/C26H28N4O/c1-2-28-22-5-3-4-21(16-22)25-18-29-26-17-20(12-15-30(25)26)19-6-8-23(9-7-19)31-24-10-13-27-14-11-24/h3-9,12,15-18,24,27-28H,2,10-11,13-14H2,1H3
InChIKeyAOOKIZKMRZDYJR-UHFFFAOYSA-N
XLogP5.23
TPSA50.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline
CID 161390343
1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen
CID 143706851
3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 56593407
[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
CID 91112338
7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine
CID 56593403
3-phenyl-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 56593408
5-fluoro-4-(7-phenylimidazo[1,2-a]pyridin-3-yl)-N-piperidin-4-ylpyrimidin-2-amine
CID 135289915
tert-butyl 4-[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]piperazine-1-carboxylate;ethane;molecular hydrogen
CID 143706940
N'-ethenyl-3-[3-(ethylamino)phenyl]-N-methylideneimidazo[1,2-a]pyridine-7-carboximidamide;formamide
CID 143908002
1-ethyl-3-[3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;1-ethyl-3-[3-[7-(6-oxo-1H-pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 159726726
2-[3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-amine
CID 163646899
1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone
CID 138548206

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[7-(4-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]aniline?
The IUPAC name of N-ethyl-3-[7-(4-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]aniline (CID 143706859) is N-ethyl-3-[7-(4-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]aniline.
What is the SMILES notation for N-ethyl-3-[7-(4-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]aniline?
The canonical SMILES for N-ethyl-3-[7-(4-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]aniline is CCNc1cccc(-c2cnc3cc(-c4ccc(OC5CCNCC5)cc4)ccn23)c1.
What is the InChIKey of N-ethyl-3-[7-(4-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]aniline?
The InChIKey is AOOKIZKMRZDYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-2-28-22-5-3-4-21(16-22)25-18-29-26-17-20(12-15-30(25)26)19-6-8-23(9-7-19)31-24-10-13-27-14-11-24/h3-9,12,15-18,24,27-28H,2,10-11,13-14H2,1H3.
What are the key properties of N-ethyl-3-[7-(4-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]aniline?
N-ethyl-3-[7-(4-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]aniline has a molecular weight of 412.54 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[7-(4-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]aniline is sourced from PubChem (CID 143706859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).