3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one

C19H23ClN4O2 — CID 75618256

IUPAC3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(C=Cc1c(Cl)nc2ccccn12)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C19H23ClN4O2/c20-19-16(24-8-2-1-5-17(24)21-19)6-7-18(25)23-11-9-22(10-12-23)14-15-4-3-13-26-15/h1-2,5-8,15H,3-4,9-14H2
InChIKeyNQBHAGVWUYWHHU-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.32
Rot. Bonds4

About 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one

3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 75618256) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
PubChem CID75618256
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(C=Cc1c(Cl)nc2ccccn12)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C19H23ClN4O2/c20-19-16(24-8-2-1-5-17(24)21-19)6-7-18(25)23-11-9-22(10-12-23)14-15-4-3-13-26-15/h1-2,5-8,15H,3-4,9-14H2
InChIKeyNQBHAGVWUYWHHU-UHFFFAOYSA-N
XLogP2.32
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]prop-2-en-1-one
CID 52538217
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one
CID 46700292
(E)-3-(3,4-dichlorophenyl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 55337875
ethyl 1-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperidine-4-carboxylate
CID 102603303
(E)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one
CID 37131928
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one
CID 134044214
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
CID 6212485
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 2349298
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 26865742
(6-chloro-2-pyridinyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 62232904
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopentylprop-2-enamide
CID 9214004
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one
CID 9181253

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one (CID 75618256) is 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one is O=C(C=Cc1c(Cl)nc2ccccn12)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is NQBHAGVWUYWHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c20-19-16(24-8-2-1-5-17(24)21-19)6-7-18(25)23-11-9-22(10-12-23)14-15-4-3-13-26-15/h1-2,5-8,15H,3-4,9-14H2.
What are the key properties of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one?
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 374.87 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 75618256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).