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

C21H23ClFN3O2 — CID 24895169

IUPAC2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C21H23ClFN3O2/c1-3-25(4-2)20(27)13-18-21(24-19-10-7-16(22)14-26(18)19)15-5-8-17(9-6-15)28-12-11-23/h5-10,14H,3-4,11-13H2,1-2H3
InChIKeyKVXKOOFISWGJCJ-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.41
Rot. Bonds8

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

2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide (PubChem CID 24895169) has the molecular formula C21H23ClFN3O2 and a molecular weight of 403.89 g/mol. Its IUPAC name is 2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide
PubChem CID24895169
Molecular FormulaC21H23ClFN3O2
Molecular Weight403.89 g/mol
Exact Mass403.15
IUPAC Name2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C21H23ClFN3O2/c1-3-25(4-2)20(27)13-18-21(24-19-10-7-16(22)14-26(18)19)15-5-8-17(9-6-15)28-12-11-23/h5-10,14H,3-4,11-13H2,1-2H3
InChIKeyKVXKOOFISWGJCJ-UHFFFAOYSA-N
XLogP4.41
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.41
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-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide (CID 24895169) is 2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nc2ccc(Cl)cn12.
What is the InChIKey of 2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide?
The InChIKey is KVXKOOFISWGJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O2/c1-3-25(4-2)20(27)13-18-21(24-19-10-7-16(22)14-26(18)19)15-5-8-17(9-6-15)28-12-11-23/h5-10,14H,3-4,11-13H2,1-2H3.
What are the key properties of 2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide?
2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide has a molecular weight of 403.89 g/mol, XLogP of 4.41, 8 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]-N,N-diethylacetamide is sourced from PubChem (CID 24895169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).