(5-methoxyimidazo[1,2-a]pyridin-2-yl)methanamine

C9H11N3O — CID 82599470

IUPAC(5-methoxyimidazo[1,2-a]pyridin-2-yl)methanamine
SMILESCOc1cccc2nc(CN)cn12
InChIInChI=1S/C9H11N3O/c1-13-9-4-2-3-8-11-7(5-10)6-12(8)9/h2-4,6H,5,10H2,1H3
InChIKeyTZZHJIKKZOOXAK-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.80
Rot. Bonds2

About (5-methoxyimidazo[1,2-a]pyridin-2-yl)methanamine

(5-methoxyimidazo[1,2-a]pyridin-2-yl)methanamine (PubChem CID 82599470) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (5-methoxyimidazo[1,2-a]pyridin-2-yl)methanamine.

Molecular Properties

Compound Name(5-methoxyimidazo[1,2-a]pyridin-2-yl)methanamine
PubChem CID82599470
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(5-methoxyimidazo[1,2-a]pyridin-2-yl)methanamine
SMILESCOc1cccc2nc(CN)cn12
InChIInChI=1S/C9H11N3O/c1-13-9-4-2-3-8-11-7(5-10)6-12(8)9/h2-4,6H,5,10H2,1H3
InChIKeyTZZHJIKKZOOXAK-UHFFFAOYSA-N
XLogP0.80
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methoxyimidazo[1,2-a]pyridin-2-yl)methanamine?
The IUPAC name of (5-methoxyimidazo[1,2-a]pyridin-2-yl)methanamine (CID 82599470) is (5-methoxyimidazo[1,2-a]pyridin-2-yl)methanamine.
What is the SMILES notation for (5-methoxyimidazo[1,2-a]pyridin-2-yl)methanamine?
The canonical SMILES for (5-methoxyimidazo[1,2-a]pyridin-2-yl)methanamine is COc1cccc2nc(CN)cn12.
What is the InChIKey of (5-methoxyimidazo[1,2-a]pyridin-2-yl)methanamine?
The InChIKey is TZZHJIKKZOOXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-13-9-4-2-3-8-11-7(5-10)6-12(8)9/h2-4,6H,5,10H2,1H3.
What are the key properties of (5-methoxyimidazo[1,2-a]pyridin-2-yl)methanamine?
(5-methoxyimidazo[1,2-a]pyridin-2-yl)methanamine has a molecular weight of 177.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxyimidazo[1,2-a]pyridin-2-yl)methanamine is sourced from PubChem (CID 82599470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).