2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid

C18H23N3O4 — CID 155437289

IUPAC2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid
SMILESCC(C)Oc1nc2nc(C34CCC(C)(CC3)OC4)cn2cc1C(=O)O
InChIInChI=1S/C18H23N3O4/c1-11(2)25-14-12(15(22)23)8-21-9-13(19-16(21)20-14)18-6-4-17(3,5-7-18)24-10-18/h8-9,11H,4-7,10H2,1-3H3,(H,22,23)
InChIKeyQUDAAHCILNMPIX-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.82
Rot. Bonds4

About 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid

2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid (PubChem CID 155437289) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid
PubChem CID155437289
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid
SMILESCC(C)Oc1nc2nc(C34CCC(C)(CC3)OC4)cn2cc1C(=O)O
InChIInChI=1S/C18H23N3O4/c1-11(2)25-14-12(15(22)23)8-21-9-13(19-16(21)20-14)18-6-4-17(3,5-7-18)24-10-18/h8-9,11H,4-7,10H2,1-3H3,(H,22,23)
InChIKeyQUDAAHCILNMPIX-UHFFFAOYSA-N
XLogP2.82
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-propan-2-yloxy-2-(1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid
CID 167420052
7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid
CID 155436898
N-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 164554883
N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 164555090
2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 167143090
N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 155443959
N-[6-(dimethylamino)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 167420008
N-[(2E,4Z)-5-[formyl-(1-methylcyclopropyl)amino]penta-2,4-dien-2-yl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 167142667
2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrazin-3-ylimidazo[1,2-a]pyrimidine-6-carboxamide
CID 177376357
N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 164554820
N-[1-[(1S,2S)-2-ethylcyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 164555109
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid (CID 155437289) is 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid is CC(C)Oc1nc2nc(C34CCC(C)(CC3)OC4)cn2cc1C(=O)O.
What is the InChIKey of 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is QUDAAHCILNMPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-11(2)25-14-12(15(22)23)8-21-9-13(19-16(21)20-14)18-6-4-17(3,5-7-18)24-10-18/h8-9,11H,4-7,10H2,1-3H3,(H,22,23).
What are the key properties of 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid?
2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 155437289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).