(E)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one

C27H24Cl2N4O — CID 10206708

IUPAC(E)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1c(-c2ccccc2)nc2ccc(Cl)cn12)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H24Cl2N4O/c28-22-8-6-20(7-9-22)18-31-14-16-32(17-15-31)26(34)13-11-24-27(21-4-2-1-3-5-21)30-25-12-10-23(29)19-33(24)25/h1-13,19H,14-18H2/b13-11+
InChIKeyLEUIXBRTOKOSDJ-ACCUITESSA-N
MW491.42 g/mol
LogP5.67
Rot. Bonds5

About (E)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one

(E)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 10206708) has the molecular formula C27H24Cl2N4O and a molecular weight of 491.42 g/mol. Its IUPAC name is (E)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
PubChem CID10206708
Molecular FormulaC27H24Cl2N4O
Molecular Weight491.42 g/mol
Exact Mass490.13
IUPAC Name(E)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1c(-c2ccccc2)nc2ccc(Cl)cn12)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H24Cl2N4O/c28-22-8-6-20(7-9-22)18-31-14-16-32(17-15-31)26(34)13-11-24-27(21-4-2-1-3-5-21)30-25-12-10-23(29)19-33(24)25/h1-13,19H,14-18H2/b13-11+
InChIKeyLEUIXBRTOKOSDJ-ACCUITESSA-N
XLogP5.67
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.42
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 897622
(E)-1-(4-benzylpiperazin-1-yl)-3-(3-chloro-4-fluorophenyl)prop-2-en-1-one
CID 9338593
(E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 717624
(E)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 26756650
1-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2757434
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
CID 121309759
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 121309789
(E)-3-[6-[(E)-3-(4-benzylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 44552937
(E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)prop-2-en-1-one
CID 146371485
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 26083393
(E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39196008
(E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023768

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one (CID 10206708) is (E)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one is O=C(/C=C/c1c(-c2ccccc2)nc2ccc(Cl)cn12)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of (E)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one?
The InChIKey is LEUIXBRTOKOSDJ-ACCUITESSA-N. The full InChI is InChI=1S/C27H24Cl2N4O/c28-22-8-6-20(7-9-22)18-31-14-16-32(17-15-31)26(34)13-11-24-27(21-4-2-1-3-5-21)30-25-12-10-23(29)19-33(24)25/h1-13,19H,14-18H2/b13-11+.
What are the key properties of (E)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one?
(E)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 491.42 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 10206708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).