(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]prop-2-enamide

C23H25ClFN5O — CID 86896534

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]prop-2-enamide
SMILESCCN1CCN(c2ccc(CNC(=O)/C=C/c3c(Cl)nc4ccccn34)cc2F)CC1
InChIInChI=1S/C23H25ClFN5O/c1-2-28-11-13-29(14-12-28)19-7-6-17(15-18(19)25)16-26-22(31)9-8-20-23(24)27-21-5-3-4-10-30(20)21/h3-10,15H,2,11-14,16H2,1H3,(H,26,31)/b9-8+
InChIKeyBEMZYSUCNFMIFU-CMDGGOBGSA-N
MW441.94 g/mol
LogP3.60
Rot. Bonds6

About (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]prop-2-enamide

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]prop-2-enamide (PubChem CID 86896534) has the molecular formula C23H25ClFN5O and a molecular weight of 441.94 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]prop-2-enamide
PubChem CID86896534
Molecular FormulaC23H25ClFN5O
Molecular Weight441.94 g/mol
Exact Mass441.17
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]prop-2-enamide
SMILESCCN1CCN(c2ccc(CNC(=O)/C=C/c3c(Cl)nc4ccccn34)cc2F)CC1
InChIInChI=1S/C23H25ClFN5O/c1-2-28-11-13-29(14-12-28)19-7-6-17(15-18(19)25)16-26-22(31)9-8-20-23(24)27-21-5-3-4-10-30(20)21/h3-10,15H,2,11-14,16H2,1H3,(H,26,31)/b9-8+
InChIKeyBEMZYSUCNFMIFU-CMDGGOBGSA-N
XLogP3.60
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
CID 84983901
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]prop-2-enamide
CID 94201750
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]prop-2-enamide
CID 55710802
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide
CID 76884661
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-ethyl-2-hydroxybutyl)prop-2-enamide
CID 111463227
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480802
N-[2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 74629548
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 102603310
N-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
CID 76863470
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 41267079
N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 86896540
propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate
CID 51110888

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]prop-2-enamide (CID 86896534) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]prop-2-enamide is CCN1CCN(c2ccc(CNC(=O)/C=C/c3c(Cl)nc4ccccn34)cc2F)CC1.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]prop-2-enamide?
The InChIKey is BEMZYSUCNFMIFU-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H25ClFN5O/c1-2-28-11-13-29(14-12-28)19-7-6-17(15-18(19)25)16-26-22(31)9-8-20-23(24)27-21-5-3-4-10-30(20)21/h3-10,15H,2,11-14,16H2,1H3,(H,26,31)/b9-8+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]prop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]prop-2-enamide has a molecular weight of 441.94 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]prop-2-enamide is sourced from PubChem (CID 86896534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).