[2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone

C16H21N3O2 — CID 116636500

IUPAC[2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1cccc2nc(C(=O)N3CCCCCC3CO)cn12
InChIInChI=1S/C16H21N3O2/c1-12-6-5-8-15-17-14(10-19(12)15)16(21)18-9-4-2-3-7-13(18)11-20/h5-6,8,10,13,20H,2-4,7,9,11H2,1H3
InChIKeyRMRQWIINSZNJRA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.02
Rot. Bonds2

About [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone

[2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 116636500) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID116636500
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1cccc2nc(C(=O)N3CCCCCC3CO)cn12
InChIInChI=1S/C16H21N3O2/c1-12-6-5-8-15-17-14(10-19(12)15)16(21)18-9-4-2-3-7-13(18)11-20/h5-6,8,10,13,20H,2-4,7,9,11H2,1H3
InChIKeyRMRQWIINSZNJRA-UHFFFAOYSA-N
XLogP2.02
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95313911
[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 94102823
1-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030760
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 66261240
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95315443
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95315442
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 124966275
(4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 56821890
[6-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116637898
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124983474
methyl 2-[(3S)-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholin-3-yl]acetate
CID 96508154
[2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone
CID 116637902

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 116636500) is [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1cccc2nc(C(=O)N3CCCCCC3CO)cn12.
What is the InChIKey of [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is RMRQWIINSZNJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-6-5-8-15-17-14(10-19(12)15)16(21)18-9-4-2-3-7-13(18)11-20/h5-6,8,10,13,20H,2-4,7,9,11H2,1H3.
What are the key properties of [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 287.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 116636500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).