1-(2-fluoro-3-methylphenyl)-2-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidin-6-yl]ethanone

C24H26FN3O3 — CID 165052009

IUPAC1-(2-fluoro-3-methylphenyl)-2-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidin-6-yl]ethanone
SMILESCc1cccc(C(=O)Cc2cn3cc(C45COC(C)(C4)C5)nc3nc2OC(C)C)c1F
InChIInChI=1S/C24H26FN3O3/c1-14(2)31-21-16(8-18(29)17-7-5-6-15(3)20(17)25)9-28-10-19(26-22(28)27-21)24-11-23(4,12-24)30-13-24/h5-7,9-10,14H,8,11-13H2,1-4H3
InChIKeyPURDBGWUZOIMNY-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.21
Rot. Bonds6

About 1-(2-fluoro-3-methylphenyl)-2-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidin-6-yl]ethanone

1-(2-fluoro-3-methylphenyl)-2-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidin-6-yl]ethanone (PubChem CID 165052009) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-2-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-2-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidin-6-yl]ethanone
PubChem CID165052009
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name1-(2-fluoro-3-methylphenyl)-2-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidin-6-yl]ethanone
SMILESCc1cccc(C(=O)Cc2cn3cc(C45COC(C)(C4)C5)nc3nc2OC(C)C)c1F
InChIInChI=1S/C24H26FN3O3/c1-14(2)31-21-16(8-18(29)17-7-5-6-15(3)20(17)25)9-28-10-19(26-22(28)27-21)24-11-23(4,12-24)30-13-24/h5-7,9-10,14H,8,11-13H2,1-4H3
InChIKeyPURDBGWUZOIMNY-UHFFFAOYSA-N
XLogP4.21
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-fluoro-3-methylphenyl)-2-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidin-6-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-2-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-2-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidin-6-yl]ethanone (CID 165052009) is 1-(2-fluoro-3-methylphenyl)-2-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-2-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-2-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidin-6-yl]ethanone is Cc1cccc(C(=O)Cc2cn3cc(C45COC(C)(C4)C5)nc3nc2OC(C)C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-2-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidin-6-yl]ethanone?
The InChIKey is PURDBGWUZOIMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-14(2)31-21-16(8-18(29)17-7-5-6-15(3)20(17)25)9-28-10-19(26-22(28)27-21)24-11-23(4,12-24)30-13-24/h5-7,9-10,14H,8,11-13H2,1-4H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-2-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidin-6-yl]ethanone?
1-(2-fluoro-3-methylphenyl)-2-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidin-6-yl]ethanone has a molecular weight of 423.49 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-2-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 165052009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).