(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone

C21H22FN3O2 — CID 70730374

IUPAC(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone
SMILESCc1cccc(OCC2CCCN(C(=O)c3nc4ccccn4c3F)C2)c1
InChIInChI=1S/C21H22FN3O2/c1-15-6-4-8-17(12-15)27-14-16-7-5-10-24(13-16)21(26)19-20(22)25-11-3-2-9-18(25)23-19/h2-4,6,8-9,11-12,16H,5,7,10,13-14H2,1H3
InChIKeyNJGZHJRAIAOBKY-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.71
Rot. Bonds4

About (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone

(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone (PubChem CID 70730374) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone
PubChem CID70730374
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone
SMILESCc1cccc(OCC2CCCN(C(=O)c3nc4ccccn4c3F)C2)c1
InChIInChI=1S/C21H22FN3O2/c1-15-6-4-8-17(12-15)27-14-16-7-5-10-24(13-16)21(26)19-20(22)25-11-3-2-9-18(25)23-19/h2-4,6,8-9,11-12,16H,5,7,10,13-14H2,1H3
InChIKeyNJGZHJRAIAOBKY-UHFFFAOYSA-N
XLogP3.71
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 94979993
imidazo[1,2-a]pyridin-3-yl-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 70748196
ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638519
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 77092201
(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 95872962
[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone
CID 119068422
[2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea
CID 95867203
3-[(3R)-3-[(3-methylphenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 51586625
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
1-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110638509
6-methyl-5-[3-[(3-methylphenoxy)methyl]piperidine-1-carbonyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 70782735
[3-[[1-(2-methylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50847103

Frequently Asked Questions

What is the IUPAC name of (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone (CID 70730374) is (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone is Cc1cccc(OCC2CCCN(C(=O)c3nc4ccccn4c3F)C2)c1.
What is the InChIKey of (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone?
The InChIKey is NJGZHJRAIAOBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-15-6-4-8-17(12-15)27-14-16-7-5-10-24(13-16)21(26)19-20(22)25-11-3-2-9-18(25)23-19/h2-4,6,8-9,11-12,16H,5,7,10,13-14H2,1H3.
What are the key properties of (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone?
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone has a molecular weight of 367.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70730374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).