5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid

C24H28N4O2 — CID 148555864

IUPAC5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid
SMILESCC(C)c1ccc(-c2nc3ccccn3c2CN2CC3CCC2CN3C(=O)O)cc1
InChIInChI=1S/C24H28N4O2/c1-16(2)17-6-8-18(9-7-17)23-21(27-12-4-3-5-22(27)25-23)15-26-13-20-11-10-19(26)14-28(20)24(29)30/h3-9,12,16,19-20H,10-11,13-15H2,1-2H3,(H,29,30)
InChIKeyMUAYNTGOBAJTFZ-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.45
Rot. Bonds4

About 5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid

5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid (PubChem CID 148555864) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid
PubChem CID148555864
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid
SMILESCC(C)c1ccc(-c2nc3ccccn3c2CN2CC3CCC2CN3C(=O)O)cc1
InChIInChI=1S/C24H28N4O2/c1-16(2)17-6-8-18(9-7-17)23-21(27-12-4-3-5-22(27)25-23)15-26-13-20-11-10-19(26)14-28(20)24(29)30/h3-9,12,16,19-20H,10-11,13-15H2,1-2H3,(H,29,30)
InChIKeyMUAYNTGOBAJTFZ-UHFFFAOYSA-N
XLogP4.45
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid with MolForge

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Related Compounds

tert-butyl 5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylate
CID 134203440
[5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone
CID 134203608
3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
CID 134203713
4-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde
CID 155015642
2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine
CID 134203654
2-(4-chlorophenyl)-3-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazo[1,2-a]pyridine
CID 134203616
(2R)-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119934738
[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(6-methoxy-2-pyridinyl)methanone
CID 146602426
3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 142784458
N-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 134203626
(E)-3-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195818
[7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(2-propan-2-ylphenyl)methanone
CID 147613404

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid?
The IUPAC name of 5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid (CID 148555864) is 5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid?
The canonical SMILES for 5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid is CC(C)c1ccc(-c2nc3ccccn3c2CN2CC3CCC2CN3C(=O)O)cc1.
What is the InChIKey of 5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid?
The InChIKey is MUAYNTGOBAJTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-16(2)17-6-8-18(9-7-17)23-21(27-12-4-3-5-22(27)25-23)15-26-13-20-11-10-19(26)14-28(20)24(29)30/h3-9,12,16,19-20H,10-11,13-15H2,1-2H3,(H,29,30).
What are the key properties of 5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid?
5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid has a molecular weight of 404.51 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid is sourced from PubChem (CID 148555864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).