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

C20H21ClFN3O2 — CID 24944834

IUPAC2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cc1c(-c2ccc(OCC[18F])cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C20H21ClFN3O2/c1-3-24(2)19(26)12-17-20(23-18-9-6-15(21)13-25(17)18)14-4-7-16(8-5-14)27-11-10-22/h4-9,13H,3,10-12H2,1-2H3/i22-1
InChIKeyALYVFCNKYFMKEU-KVTPGWOSSA-N
MW388.86 g/mol
LogP4.02
Rot. Bonds7

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

2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide (PubChem CID 24944834) has the molecular formula C20H21ClFN3O2 and a molecular weight of 388.86 g/mol. Its IUPAC name is 2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide
PubChem CID24944834
Molecular FormulaC20H21ClFN3O2
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cc1c(-c2ccc(OCC[18F])cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C20H21ClFN3O2/c1-3-24(2)19(26)12-17-20(23-18-9-6-15(21)13-25(17)18)14-4-7-16(8-5-14)27-11-10-22/h4-9,13H,3,10-12H2,1-2H3/i22-1
InChIKeyALYVFCNKYFMKEU-KVTPGWOSSA-N
XLogP4.02
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide (CID 24944834) is 2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide is CCN(C)C(=O)Cc1c(-c2ccc(OCC[18F])cc2)nc2ccc(Cl)cn12.
What is the InChIKey of 2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide?
The InChIKey is ALYVFCNKYFMKEU-KVTPGWOSSA-N. The full InChI is InChI=1S/C20H21ClFN3O2/c1-3-24(2)19(26)12-17-20(23-18-9-6-15(21)13-25(17)18)14-4-7-16(8-5-14)27-11-10-22/h4-9,13H,3,10-12H2,1-2H3/i22-1.
What are the key properties of 2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide?
2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide has a molecular weight of 388.86 g/mol, XLogP of 4.02, 7 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-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 24944834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).