N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide

C23H28FN5O — CID 86896540

IUPACN-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
SMILESCCN1CCN(c2ccc(CNC(=O)Cc3cn4cccc(C)c4n3)cc2F)CC1
InChIInChI=1S/C23H28FN5O/c1-3-27-9-11-28(12-10-27)21-7-6-18(13-20(21)24)15-25-22(30)14-19-16-29-8-4-5-17(2)23(29)26-19/h4-8,13,16H,3,9-12,14-15H2,1-2H3,(H,25,30)
InChIKeyZETKLCMNSGDBIR-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.78
Rot. Bonds6

About N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide

N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide (PubChem CID 86896540) has the molecular formula C23H28FN5O and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
PubChem CID86896540
Molecular FormulaC23H28FN5O
Molecular Weight409.51 g/mol
Exact Mass409.23
IUPAC NameN-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
SMILESCCN1CCN(c2ccc(CNC(=O)Cc3cn4cccc(C)c4n3)cc2F)CC1
InChIInChI=1S/C23H28FN5O/c1-3-27-9-11-28(12-10-27)21-7-6-18(13-20(21)24)15-25-22(30)14-19-16-29-8-4-5-17(2)23(29)26-19/h4-8,13,16H,3,9-12,14-15H2,1-2H3,(H,25,30)
InChIKeyZETKLCMNSGDBIR-UHFFFAOYSA-N
XLogP2.78
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95614536
N-[2-fluoro-5-[[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]phenyl]-2-phenylacetamide
CID 86880257
5-acetamido-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-hydroxybenzamide
CID 86897094
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]prop-2-enamide
CID 86896534
N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060171
4-(methylamino)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide
CID 119882755
3-amino-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide
CID 119882794
1-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111762416
1-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111761978
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide;dihydrochloride
CID 119882780
4-(4-ethylpiperazin-1-yl)-3-fluorobenzoic acid
CID 28604489
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 86936262

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide?
The IUPAC name of N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide (CID 86896540) is N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide is CCN1CCN(c2ccc(CNC(=O)Cc3cn4cccc(C)c4n3)cc2F)CC1.
What is the InChIKey of N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide?
The InChIKey is ZETKLCMNSGDBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O/c1-3-27-9-11-28(12-10-27)21-7-6-18(13-20(21)24)15-25-22(30)14-19-16-29-8-4-5-17(2)23(29)26-19/h4-8,13,16H,3,9-12,14-15H2,1-2H3,(H,25,30).
What are the key properties of N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide?
N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide has a molecular weight of 409.51 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 86896540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).