2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone

C21H21ClFN3O2 — CID 59445328

IUPAC2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1c(-c2ccc(OCCF)cc2)nc2ccc(Cl)cn12)N1CCCC1
InChIInChI=1S/C21H21ClFN3O2/c22-16-5-8-19-24-21(15-3-6-17(7-4-15)28-12-9-23)18(26(19)14-16)13-20(27)25-10-1-2-11-25/h3-8,14H,1-2,9-13H2
InChIKeyYXCPAQKWAYEOPP-UHFFFAOYSA-N
MW401.87 g/mol
LogP4.17
Rot. Bonds6

About 2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone

2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 59445328) has the molecular formula C21H21ClFN3O2 and a molecular weight of 401.87 g/mol. Its IUPAC name is 2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone
PubChem CID59445328
Molecular FormulaC21H21ClFN3O2
Molecular Weight401.87 g/mol
Exact Mass401.13
IUPAC Name2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1c(-c2ccc(OCCF)cc2)nc2ccc(Cl)cn12)N1CCCC1
InChIInChI=1S/C21H21ClFN3O2/c22-16-5-8-19-24-21(15-3-6-17(7-4-15)28-12-9-23)18(26(19)14-16)13-20(27)25-10-1-2-11-25/h3-8,14H,1-2,9-13H2
InChIKeyYXCPAQKWAYEOPP-UHFFFAOYSA-N
XLogP4.17
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide
CID 24944834
2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone
CID 172677002
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 156575795
3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 91634623
2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone
CID 163800953
3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195767
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 82030130
1-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2757434
1-[3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide
CID 83287026
3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 91635351
2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 92939186
6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67028658

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone (CID 59445328) is 2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone is O=C(Cc1c(-c2ccc(OCCF)cc2)nc2ccc(Cl)cn12)N1CCCC1.
What is the InChIKey of 2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is YXCPAQKWAYEOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O2/c22-16-5-8-19-24-21(15-3-6-17(7-4-15)28-12-9-23)18(26(19)14-16)13-20(27)25-10-1-2-11-25/h3-8,14H,1-2,9-13H2.
What are the key properties of 2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone?
2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 401.87 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 59445328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).