5-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carbaldehyde

C20H20ClN5O — CID 134203461

IUPAC5-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carbaldehyde
SMILESO=CN1CC2CCC1CN2Cc1c(-c2ccc(Cl)cn2)nc2ccccn12
InChIInChI=1S/C20H20ClN5O/c21-14-4-7-17(22-9-14)20-18(26-8-2-1-3-19(26)23-20)12-24-10-16-6-5-15(24)11-25(16)13-27/h1-4,7-9,13,15-16H,5-6,10-12H2
InChIKeyUERIEKDYTQJUSH-UHFFFAOYSA-N
MW381.87 g/mol
LogP2.85
Rot. Bonds4

About 5-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carbaldehyde

5-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carbaldehyde (PubChem CID 134203461) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 5-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carbaldehyde.

Molecular Properties

Compound Name5-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carbaldehyde
PubChem CID134203461
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name5-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carbaldehyde
SMILESO=CN1CC2CCC1CN2Cc1c(-c2ccc(Cl)cn2)nc2ccccn12
InChIInChI=1S/C20H20ClN5O/c21-14-4-7-17(22-9-14)20-18(26-8-2-1-3-19(26)23-20)12-24-10-16-6-5-15(24)11-25(16)13-27/h1-4,7-9,13,15-16H,5-6,10-12H2
InChIKeyUERIEKDYTQJUSH-UHFFFAOYSA-N
XLogP2.85
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carbaldehyde with MolForge

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Related Compounds

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-chlorophenyl)-3-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazo[1,2-a]pyridine
CID 134203616
2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine
CID 134203654
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-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid
CID 148555864
[7-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-[6-(trifluoromethoxy)-2-pyridinyl]methanone
CID 134203842
[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-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-cyclohexyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 134203756
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
[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-cyclohexylmethanone
CID 134203833
[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone
CID 163785356
4-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde
CID 155015642

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carbaldehyde?
The IUPAC name of 5-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carbaldehyde (CID 134203461) is 5-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carbaldehyde.
What is the SMILES notation for 5-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carbaldehyde?
The canonical SMILES for 5-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carbaldehyde is O=CN1CC2CCC1CN2Cc1c(-c2ccc(Cl)cn2)nc2ccccn12.
What is the InChIKey of 5-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carbaldehyde?
The InChIKey is UERIEKDYTQJUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c21-14-4-7-17(22-9-14)20-18(26-8-2-1-3-19(26)23-20)12-24-10-16-6-5-15(24)11-25(16)13-27/h1-4,7-9,13,15-16H,5-6,10-12H2.
What are the key properties of 5-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carbaldehyde?
5-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carbaldehyde has a molecular weight of 381.87 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carbaldehyde is sourced from PubChem (CID 134203461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).