8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine

C17H22FN3O2 — CID 155010266

IUPAC8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine
SMILESCNc1cn2cc(C34COC(C)(C3)C4)nc2c(F)c1OC(C)C
InChIInChI=1S/C17H22FN3O2/c1-10(2)23-14-11(19-4)5-21-6-12(20-15(21)13(14)18)17-7-16(3,8-17)22-9-17/h5-6,10,19H,7-9H2,1-4H3
InChIKeyJTRLYGRDXONROW-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.12
Rot. Bonds4

About 8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine

8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine (PubChem CID 155010266) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound Name8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine
PubChem CID155010266
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine
SMILESCNc1cn2cc(C34COC(C)(C3)C4)nc2c(F)c1OC(C)C
InChIInChI=1S/C17H22FN3O2/c1-10(2)23-14-11(19-4)5-21-6-12(20-15(21)13(14)18)17-7-16(3,8-17)22-9-17/h5-6,10,19H,7-9H2,1-4H3
InChIKeyJTRLYGRDXONROW-UHFFFAOYSA-N
XLogP3.12
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine?
The IUPAC name of 8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine (CID 155010266) is 8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for 8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for 8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine is CNc1cn2cc(C34COC(C)(C3)C4)nc2c(F)c1OC(C)C.
What is the InChIKey of 8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine?
The InChIKey is JTRLYGRDXONROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-10(2)23-14-11(19-4)5-21-6-12(20-15(21)13(14)18)17-7-16(3,8-17)22-9-17/h5-6,10,19H,7-9H2,1-4H3.
What are the key properties of 8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine?
8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine has a molecular weight of 319.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 155010266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).