8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine

C18H24FN3O2 — CID 155010269

IUPAC8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine
SMILESCNc1cn2cc(C34CCC(C)(C3)OC4)nc2c(F)c1OC(C)C
InChIInChI=1S/C18H24FN3O2/c1-11(2)24-15-12(20-4)7-22-8-13(21-16(22)14(15)19)18-6-5-17(3,9-18)23-10-18/h7-8,11,20H,5-6,9-10H2,1-4H3
InChIKeyYZLLRZCOGXKRKN-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.51
Rot. Bonds4

About 8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine

8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine (PubChem CID 155010269) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound Name8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine
PubChem CID155010269
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine
SMILESCNc1cn2cc(C34CCC(C)(C3)OC4)nc2c(F)c1OC(C)C
InChIInChI=1S/C18H24FN3O2/c1-11(2)24-15-12(20-4)7-22-8-13(21-16(22)14(15)19)18-6-5-17(3,9-18)23-10-18/h7-8,11,20H,5-6,9-10H2,1-4H3
InChIKeyYZLLRZCOGXKRKN-UHFFFAOYSA-N
XLogP3.51
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.51
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[2.2.1]heptan-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[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine (CID 155010269) is 8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-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[2.2.1]heptan-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[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine is CNc1cn2cc(C34CCC(C)(C3)OC4)nc2c(F)c1OC(C)C.
What is the InChIKey of 8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine?
The InChIKey is YZLLRZCOGXKRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-11(2)24-15-12(20-4)7-22-8-13(21-16(22)14(15)19)18-6-5-17(3,9-18)23-10-18/h7-8,11,20H,5-6,9-10H2,1-4H3.
What are the key properties of 8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine?
8-fluoro-N-methyl-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine has a molecular weight of 333.41 g/mol, XLogP of 3.51, 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[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 155010269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).