3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine

C22H26N4 — CID 134203713

IUPAC3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)c1ccc(-c2nc3ccccn3c2CN2CC3CC(C2)N3)cc1
InChIInChI=1S/C22H26N4/c1-15(2)16-6-8-17(9-7-16)22-20(26-10-4-3-5-21(26)24-22)14-25-12-18-11-19(13-25)23-18/h3-10,15,18-19,23H,11-14H2,1-2H3
InChIKeyULLCOHXXUXJBKQ-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.67
Rot. Bonds4

About 3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine

3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine (PubChem CID 134203713) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
PubChem CID134203713
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)c1ccc(-c2nc3ccccn3c2CN2CC3CC(C2)N3)cc1
InChIInChI=1S/C22H26N4/c1-15(2)16-6-8-17(9-7-16)22-20(26-10-4-3-5-21(26)24-22)14-25-12-18-11-19(13-25)23-18/h3-10,15,18-19,23H,11-14H2,1-2H3
InChIKeyULLCOHXXUXJBKQ-UHFFFAOYSA-N
XLogP3.67
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde
CID 155015642
3-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidine;dihydrochloride
CID 142494523
2-(4-chlorophenyl)-3-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazo[1,2-a]pyridine
CID 134203616
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
2-(5-chloro-2-pyridinyl)-3-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)imidazo[1,2-a]pyridine;methane
CID 167655270
2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2760437
3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 70735350
[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
7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide
CID 134203633
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-N,N-di(propan-2-yl)-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide
CID 168863968
[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-cyclohexylmethanone
CID 134203833
(3S)-1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylazepan-3-amine
CID 70777918

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine (CID 134203713) is 3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine is CC(C)c1ccc(-c2nc3ccccn3c2CN2CC3CC(C2)N3)cc1.
What is the InChIKey of 3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is ULLCOHXXUXJBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-15(2)16-6-8-17(9-7-16)22-20(26-10-4-3-5-21(26)24-22)14-25-12-18-11-19(13-25)23-18/h3-10,15,18-19,23H,11-14H2,1-2H3.
What are the key properties of 3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine?
3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 346.48 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 134203713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).