(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone

C21H23FN4O3 — CID 77092201

IUPAC(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
SMILESCOc1cccc(OCCN2CCN(C(=O)c3nc4ccccn4c3F)CC2)c1
InChIInChI=1S/C21H23FN4O3/c1-28-16-5-4-6-17(15-16)29-14-13-24-9-11-25(12-10-24)21(27)19-20(22)26-8-3-2-7-18(26)23-19/h2-8,15H,9-14H2,1H3
InChIKeyUYNCHMWBUQCYKX-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.32
Rot. Bonds6

About (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone

(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone (PubChem CID 77092201) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
PubChem CID77092201
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
SMILESCOc1cccc(OCCN2CCN(C(=O)c3nc4ccccn4c3F)CC2)c1
InChIInChI=1S/C21H23FN4O3/c1-28-16-5-4-6-17(15-16)29-14-13-24-9-11-25(12-10-24)21(27)19-20(22)26-8-3-2-7-18(26)23-19/h2-8,15H,9-14H2,1H3
InChIKeyUYNCHMWBUQCYKX-UHFFFAOYSA-N
XLogP2.32
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 71725004
(3,4-dimethoxyphenyl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571415
(2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 55379370
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 154889347
(7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71725008
(3,5-dimethoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 35147974
(4-methoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638198
(2R)-2-amino-1-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 120873129
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone
CID 71725059
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
[3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 87051612
[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 110638188

Frequently Asked Questions

What is the IUPAC name of (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone (CID 77092201) is (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone is COc1cccc(OCCN2CCN(C(=O)c3nc4ccccn4c3F)CC2)c1.
What is the InChIKey of (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
The InChIKey is UYNCHMWBUQCYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-28-16-5-4-6-17(15-16)29-14-13-24-9-11-25(12-10-24)21(27)19-20(22)26-8-3-2-7-18(26)23-19/h2-8,15H,9-14H2,1H3.
What are the key properties of (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone has a molecular weight of 398.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 77092201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).