3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methylimidazo[4,5-b]pyridin-2-amine

C15H21N5 — CID 79280521

IUPAC3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2C1CCN2CCCCC12
InChIInChI=1S/C15H21N5/c1-10-8-11-14(17-9-10)20(15(16)18-11)13-5-7-19-6-3-2-4-12(13)19/h8-9,12-13H,2-7H2,1H3,(H2,16,18)
InChIKeyQPZDRDBOPSAPSP-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.12
Rot. Bonds1

About 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methylimidazo[4,5-b]pyridin-2-amine

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 79280521) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID79280521
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2C1CCN2CCCCC12
InChIInChI=1S/C15H21N5/c1-10-8-11-14(17-9-10)20(15(16)18-11)13-5-7-19-6-3-2-4-12(13)19/h8-9,12-13H,2-7H2,1H3,(H2,16,18)
InChIKeyQPZDRDBOPSAPSP-UHFFFAOYSA-N
XLogP2.12
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methylimidazo[4,5-b]pyridin-2-amine (CID 79280521) is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methylimidazo[4,5-b]pyridin-2-amine is Cc1cnc2c(c1)nc(N)n2C1CCN2CCCCC12.
What is the InChIKey of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is QPZDRDBOPSAPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-10-8-11-14(17-9-10)20(15(16)18-11)13-5-7-19-6-3-2-4-12(13)19/h8-9,12-13H,2-7H2,1H3,(H2,16,18).
What are the key properties of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methylimidazo[4,5-b]pyridin-2-amine?
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 271.37 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79280521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).