1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-amine

C21H21N5O2 — CID 150175991

IUPAC1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-amine
SMILESCc1noc(C)c1-c1cc2c(cn1)nc(NC1COC1)n2Cc1ccccc1
InChIInChI=1S/C21H21N5O2/c1-13-20(14(2)28-25-13)17-8-19-18(9-22-17)24-21(23-16-11-27-12-16)26(19)10-15-6-4-3-5-7-15/h3-9,16H,10-12H2,1-2H3,(H,23,24)
InChIKeyFKKQBAXYNDZUFY-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.56
Rot. Bonds5

About 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-amine

1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-amine (PubChem CID 150175991) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-amine
PubChem CID150175991
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-amine
SMILESCc1noc(C)c1-c1cc2c(cn1)nc(NC1COC1)n2Cc1ccccc1
InChIInChI=1S/C21H21N5O2/c1-13-20(14(2)28-25-13)17-8-19-18(9-22-17)24-21(23-16-11-27-12-16)26(19)10-15-6-4-3-5-7-15/h3-9,16H,10-12H2,1-2H3,(H,23,24)
InChIKeyFKKQBAXYNDZUFY-UHFFFAOYSA-N
XLogP3.56
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-amine (CID 150175991) is 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-amine is Cc1noc(C)c1-c1cc2c(cn1)nc(NC1COC1)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-amine?
The InChIKey is FKKQBAXYNDZUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-20(14(2)28-25-13)17-8-19-18(9-22-17)24-21(23-16-11-27-12-16)26(19)10-15-6-4-3-5-7-15/h3-9,16H,10-12H2,1-2H3,(H,23,24).
What are the key properties of 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-amine?
1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-amine has a molecular weight of 375.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 150175991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).