[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine

C16H22N4 — CID 65320030

IUPAC[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCc1c(N2CCCC3CCCC32)nc2ccccn12
InChIInChI=1S/C16H22N4/c17-11-14-16(18-15-8-1-2-9-19(14)15)20-10-4-6-12-5-3-7-13(12)20/h1-2,8-9,12-13H,3-7,10-11,17H2
InChIKeyQADGVYINPWFFON-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.56
Rot. Bonds2

About [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine

[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 65320030) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID65320030
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCc1c(N2CCCC3CCCC32)nc2ccccn12
InChIInChI=1S/C16H22N4/c17-11-14-16(18-15-8-1-2-9-19(14)15)20-10-4-6-12-5-3-7-13(12)20/h1-2,8-9,12-13H,3-7,10-11,17H2
InChIKeyQADGVYINPWFFON-UHFFFAOYSA-N
XLogP2.56
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine with MolForge

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Related Compounds

2-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 82753009
[2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478216
1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-ol
CID 61434792
3-(chloromethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
CID 54882666
3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
CID 107080729
(2-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 43478170
1-[2-(2-ethylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63786397
1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196803
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine
CID 65318914
1-[3-(chloromethyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319793
2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine
CID 63060051
N-[[2-(2,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
CID 62124835

Frequently Asked Questions

What is the IUPAC name of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine (CID 65320030) is [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine is NCc1c(N2CCCC3CCCC32)nc2ccccn12.
What is the InChIKey of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is QADGVYINPWFFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c17-11-14-16(18-15-8-1-2-9-19(14)15)20-10-4-6-12-5-3-7-13(12)20/h1-2,8-9,12-13H,3-7,10-11,17H2.
What are the key properties of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine?
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 65320030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).