2-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine

C17H24N4 — CID 82753009

IUPAC2-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESNCCc1c(N2CCC3CCCCC32)nc2ccccn12
InChIInChI=1S/C17H24N4/c18-10-8-15-17(19-16-7-3-4-11-20(15)16)21-12-9-13-5-1-2-6-14(13)21/h3-4,7,11,13-14H,1-2,5-6,8-10,12,18H2
InChIKeyAYMNDVFSCKTFTK-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.60
Rot. Bonds3

About 2-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine

2-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine (PubChem CID 82753009) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine
PubChem CID82753009
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESNCCc1c(N2CCC3CCCCC32)nc2ccccn12
InChIInChI=1S/C17H24N4/c18-10-8-15-17(19-16-7-3-4-11-20(15)16)21-12-9-13-5-1-2-6-14(13)21/h3-4,7,11,13-14H,1-2,5-6,8-10,12,18H2
InChIKeyAYMNDVFSCKTFTK-UHFFFAOYSA-N
XLogP2.60
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
VK-19911
CID 9797240
Bms 345541
CID 9926054
2-(4-Bromophenyl)imidazo(1,2-a)pyridine-3-methanamine
CID 2757120
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
4(2'-Aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline
CID 9813758
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
IRAK4 inhibitor rac-45
CID 25169383

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine (CID 82753009) is 2-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine is NCCc1c(N2CCC3CCCCC32)nc2ccccn12.
What is the InChIKey of 2-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine?
The InChIKey is AYMNDVFSCKTFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c18-10-8-15-17(19-16-7-3-4-11-20(15)16)21-12-9-13-5-1-2-6-14(13)21/h3-4,7,11,13-14H,1-2,5-6,8-10,12,18H2.
What are the key properties of 2-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine?
2-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine has a molecular weight of 284.41 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine is sourced from PubChem (CID 82753009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).