2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone

C18H17ClN4O — CID 14390276

IUPAC2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cn1c(-c2ccc(Cl)cc2)nc2cccnc21)N1CCCC1
InChIInChI=1S/C18H17ClN4O/c19-14-7-5-13(6-8-14)17-21-15-4-3-9-20-18(15)23(17)12-16(24)22-10-1-2-11-22/h3-9H,1-2,10-12H2
InChIKeySMYJDJDOJMORKX-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.37
Rot. Bonds3

About 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone

2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 14390276) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone
PubChem CID14390276
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cn1c(-c2ccc(Cl)cc2)nc2cccnc21)N1CCCC1
InChIInChI=1S/C18H17ClN4O/c19-14-7-5-13(6-8-14)17-21-15-4-3-9-20-18(15)23(17)12-16(24)22-10-1-2-11-22/h3-9H,1-2,10-12H2
InChIKeySMYJDJDOJMORKX-UHFFFAOYSA-N
XLogP3.37
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Alpidem
CID 54897
Clemizole
CID 2782
Saripidem
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CB 34
CID 6603782
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7-(2,4-Dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine
CID 18001593
4-[2-(4-Chlorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
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6-(4-Chlorophenyl)-2-phenylimidazo[1,2-a]pyridine
CID 58880630
3-[[5-Chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 88544945
1-[4-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one
CID 135156282

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone (CID 14390276) is 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone is O=C(Cn1c(-c2ccc(Cl)cc2)nc2cccnc21)N1CCCC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is SMYJDJDOJMORKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-14-7-5-13(6-8-14)17-21-15-4-3-9-20-18(15)23(17)12-16(24)22-10-1-2-11-22/h3-9H,1-2,10-12H2.
What are the key properties of 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone?
2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 340.81 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 14390276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).