5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-8-amine

C17H16ClN3 — CID 82343068

IUPAC5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-8-amine
SMILESNc1ccc(Cl)n2cc(-c3ccc4c(c3)CCCC4)nc12
InChIInChI=1S/C17H16ClN3/c18-16-8-7-14(19)17-20-15(10-21(16)17)13-6-5-11-3-1-2-4-12(11)9-13/h5-10H,1-4,19H2
InChIKeyACHIAFSPLNFWPB-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.12
Rot. Bonds1

About 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-8-amine

5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 82343068) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-8-amine
PubChem CID82343068
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-8-amine
SMILESNc1ccc(Cl)n2cc(-c3ccc4c(c3)CCCC4)nc12
InChIInChI=1S/C17H16ClN3/c18-16-8-7-14(19)17-20-15(10-21(16)17)13-6-5-11-3-1-2-4-12(11)9-13/h5-10H,1-4,19H2
InChIKeyACHIAFSPLNFWPB-UHFFFAOYSA-N
XLogP4.12
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-8-amine (CID 82343068) is 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-8-amine is Nc1ccc(Cl)n2cc(-c3ccc4c(c3)CCCC4)nc12.
What is the InChIKey of 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is ACHIAFSPLNFWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-16-8-7-14(19)17-20-15(10-21(16)17)13-6-5-11-3-1-2-4-12(11)9-13/h5-10H,1-4,19H2.
What are the key properties of 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-8-amine?
5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 297.79 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 82343068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).