[2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine

C14H20N4 — CID 43478216

IUPAC[2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCc1c(N2CCCCCC2)nc2ccccn12
InChIInChI=1S/C14H20N4/c15-11-12-14(17-8-4-1-2-5-9-17)16-13-7-3-6-10-18(12)13/h3,6-7,10H,1-2,4-5,8-9,11,15H2
InChIKeyFEZVRWIRHAPIHZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.17
Rot. Bonds2

About [2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine

[2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 43478216) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is [2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID43478216
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name[2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCc1c(N2CCCCCC2)nc2ccccn12
InChIInChI=1S/C14H20N4/c15-11-12-14(17-8-4-1-2-5-9-17)16-13-7-3-6-10-18(12)13/h3,6-7,10H,1-2,4-5,8-9,11,15H2
InChIKeyFEZVRWIRHAPIHZ-UHFFFAOYSA-N
XLogP2.17
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 43478170
1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-ol
CID 61434792
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 65320030
3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine
CID 107079661
2-[2-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 63783044
7-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79096428
2-[2-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 63783071
1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-4-methylazepan-4-ol
CID 107405231
3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 107083876
N-methyl-1-[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 61419254
2-[2-(3-methoxy-3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 107395888
[2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 54909750

Frequently Asked Questions

What is the IUPAC name of [2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine (CID 43478216) is [2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine is NCc1c(N2CCCCCC2)nc2ccccn12.
What is the InChIKey of [2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is FEZVRWIRHAPIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c15-11-12-14(17-8-4-1-2-5-9-17)16-13-7-3-6-10-18(12)13/h3,6-7,10H,1-2,4-5,8-9,11,15H2.
What are the key properties of [2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine?
[2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 43478216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).