2-[6-chloro-2-[4-(3-(18F)fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide

C22H25ClFN3O2 — CID 24944913

IUPAC2-[6-chloro-2-[4-(3-(18F)fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1c(-c2ccc(OCCC[18F])cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C22H25ClFN3O2/c1-3-26(4-2)21(28)14-19-22(25-20-11-8-17(23)15-27(19)20)16-6-9-18(10-7-16)29-13-5-12-24/h6-11,15H,3-5,12-14H2,1-2H3/i24-1
InChIKeyYFXIZOLPHFYYMF-MIGPCILRSA-N
MW416.91 g/mol
LogP4.80
Rot. Bonds9

About 2-[6-chloro-2-[4-(3-(18F)fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide

2-[6-chloro-2-[4-(3-(18F)fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide (PubChem CID 24944913) has the molecular formula C22H25ClFN3O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is 2-[6-chloro-2-[4-(3-(18F)fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[6-chloro-2-[4-(3-(18F)fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide
PubChem CID24944913
Molecular FormulaC22H25ClFN3O2
Molecular Weight416.91 g/mol
Exact Mass416.16
IUPAC Name2-[6-chloro-2-[4-(3-(18F)fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1c(-c2ccc(OCCC[18F])cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C22H25ClFN3O2/c1-3-26(4-2)21(28)14-19-22(25-20-11-8-17(23)15-27(19)20)16-6-9-18(10-7-16)29-13-5-12-24/h6-11,15H,3-5,12-14H2,1-2H3/i24-1
InChIKeyYFXIZOLPHFYYMF-MIGPCILRSA-N
XLogP4.80
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Cambritaxestat
CID 122199235
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
N-Butyl-2-(6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)-N-methylacetamide
CID 24945827
2-(6,8-Dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)-N-methyl-N-phenylacetamide
CID 24945828
7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234745
1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
3-Chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 1104473
2-(6,8-Dichloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl)-N-methyl-N-phenylacetamide
CID 25138872
N-butyl-2-[6,8-dichloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide
CID 25140329
2-(6,8-Dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
CID 25140330
2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 168289645

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-[4-(3-(18F)fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[6-chloro-2-[4-(3-(18F)fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide (CID 24944913) is 2-[6-chloro-2-[4-(3-(18F)fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[6-chloro-2-[4-(3-(18F)fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[6-chloro-2-[4-(3-(18F)fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cc1c(-c2ccc(OCCC[18F])cc2)nc2ccc(Cl)cn12.
What is the InChIKey of 2-[6-chloro-2-[4-(3-(18F)fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide?
The InChIKey is YFXIZOLPHFYYMF-MIGPCILRSA-N. The full InChI is InChI=1S/C22H25ClFN3O2/c1-3-26(4-2)21(28)14-19-22(25-20-11-8-17(23)15-27(19)20)16-6-9-18(10-7-16)29-13-5-12-24/h6-11,15H,3-5,12-14H2,1-2H3/i24-1.
What are the key properties of 2-[6-chloro-2-[4-(3-(18F)fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide?
2-[6-chloro-2-[4-(3-(18F)fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide has a molecular weight of 416.91 g/mol, XLogP of 4.80, 9 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-(3-(18F)fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide is sourced from PubChem (CID 24944913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).