1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen

C26H34N6O — CID 143706851

IUPAC1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen
SMILESCCNC(=O)Nc1cccc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C26H28N6O.3H2/c1-2-28-26(33)30-22-5-3-4-21(16-22)24-18-29-25-17-20(10-13-32(24)25)19-6-8-23(9-7-19)31-14-11-27-12-15-31;;;/h3-10,13,16-18,27H,2,11-12,14-15H2,1H3,(H2,28,30,33);3*1H
InChIKeyLSRJSQPFLUIPLC-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.96
Rot. Bonds5

About 1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen

1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen (PubChem CID 143706851) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen.

Molecular Properties

Compound Name1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen
PubChem CID143706851
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen
SMILESCCNC(=O)Nc1cccc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C26H28N6O.3H2/c1-2-28-26(33)30-22-5-3-4-21(16-22)24-18-29-25-17-20(10-13-32(24)25)19-6-8-23(9-7-19)31-14-11-27-12-15-31;;;/h3-10,13,16-18,27H,2,11-12,14-15H2,1H3,(H2,28,30,33);3*1H
InChIKeyLSRJSQPFLUIPLC-UHFFFAOYSA-N
XLogP4.96
TPSA73.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]piperazine-1-carboxylate;ethane;molecular hydrogen
CID 143706940
1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
CID 59320921
1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 59321072
1-ethyl-3-[3-[7-[(2R)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 70890039
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
formyl 1-[[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methyl]-3-methylpiperidine-3-carboxylate
CID 87510449
[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
CID 91112338
N-ethyl-3-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide;formic acid
CID 68595103
1-[3-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321171
3-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
CID 59320936
1-[3-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320990
N-ethyl-3-[7-(4-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]aniline
CID 143706859

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen?
The IUPAC name of 1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen (CID 143706851) is 1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen.
What is the SMILES notation for 1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen?
The canonical SMILES for 1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen is CCNC(=O)Nc1cccc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c1.[H][H].[H][H].[H][H].
What is the InChIKey of 1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen?
The InChIKey is LSRJSQPFLUIPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O.3H2/c1-2-28-26(33)30-22-5-3-4-21(16-22)24-18-29-25-17-20(10-13-32(24)25)19-6-8-23(9-7-19)31-14-11-27-12-15-31;;;/h3-10,13,16-18,27H,2,11-12,14-15H2,1H3,(H2,28,30,33);3*1H.
What are the key properties of 1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen?
1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen has a molecular weight of 446.60 g/mol, XLogP of 4.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen is sourced from PubChem (CID 143706851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).