[3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine

C13H17N3O — CID 117143209

IUPAC[3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
SMILESNCc1ccn2c(C3CCOCC3)ncc2c1
InChIInChI=1S/C13H17N3O/c14-8-10-1-4-16-12(7-10)9-15-13(16)11-2-5-17-6-3-11/h1,4,7,9,11H,2-3,5-6,8,14H2
InChIKeySPUVYPLKVZZAHF-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.69
Rot. Bonds2

About [3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine

[3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine (PubChem CID 117143209) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
PubChem CID117143209
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
SMILESNCc1ccn2c(C3CCOCC3)ncc2c1
InChIInChI=1S/C13H17N3O/c14-8-10-1-4-16-12(7-10)9-15-13(16)11-2-5-17-6-3-11/h1,4,7,9,11H,2-3,5-6,8,14H2
InChIKeySPUVYPLKVZZAHF-UHFFFAOYSA-N
XLogP1.69
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine?
The IUPAC name of [3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine (CID 117143209) is [3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine?
The canonical SMILES for [3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine is NCc1ccn2c(C3CCOCC3)ncc2c1.
What is the InChIKey of [3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine?
The InChIKey is SPUVYPLKVZZAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-8-10-1-4-16-12(7-10)9-15-13(16)11-2-5-17-6-3-11/h1,4,7,9,11H,2-3,5-6,8,14H2.
What are the key properties of [3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine?
[3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 117143209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).