N-(oxetan-2-ylmethyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine

C16H16N4O — CID 162643035

IUPACN-(oxetan-2-ylmethyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESc1ccc(-c2nc3ccccn3c2NCC2CCO2)nc1
InChIInChI=1S/C16H16N4O/c1-3-8-17-13(5-1)15-16(18-11-12-7-10-21-12)20-9-4-2-6-14(20)19-15/h1-6,8-9,12,18H,7,10-11H2
InChIKeyZMJDPTGUHVPREY-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.60
Rot. Bonds4

About N-(oxetan-2-ylmethyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine

N-(oxetan-2-ylmethyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 162643035) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(oxetan-2-ylmethyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(oxetan-2-ylmethyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID162643035
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(oxetan-2-ylmethyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESc1ccc(-c2nc3ccccn3c2NCC2CCO2)nc1
InChIInChI=1S/C16H16N4O/c1-3-8-17-13(5-1)15-16(18-11-12-7-10-21-12)20-9-4-2-6-14(20)19-15/h1-6,8-9,12,18H,7,10-11H2
InChIKeyZMJDPTGUHVPREY-UHFFFAOYSA-N
XLogP2.60
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_Db(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxetan-2-ylmethyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(oxetan-2-ylmethyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine (CID 162643035) is N-(oxetan-2-ylmethyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(oxetan-2-ylmethyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(oxetan-2-ylmethyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine is c1ccc(-c2nc3ccccn3c2NCC2CCO2)nc1.
What is the InChIKey of N-(oxetan-2-ylmethyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is ZMJDPTGUHVPREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-3-8-17-13(5-1)15-16(18-11-12-7-10-21-12)20-9-4-2-6-14(20)19-15/h1-6,8-9,12,18H,7,10-11H2.
What are the key properties of N-(oxetan-2-ylmethyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
N-(oxetan-2-ylmethyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 280.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxetan-2-ylmethyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 162643035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).