2-[3-[5-(2-fluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide

C21H17FN4O2 — CID 71819548

IUPAC2-[3-[5-(2-fluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESNC(=O)c1cccn2cc(-c3cccc(-c4cncc(OCCF)c4)c3)nc12
InChIInChI=1S/C21H17FN4O2/c22-6-8-28-17-10-16(11-24-12-17)14-3-1-4-15(9-14)19-13-26-7-2-5-18(20(23)27)21(26)25-19/h1-5,7,9-13H,6,8H2,(H2,23,27)
InChIKeySHUPBUNINDTYGB-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.51
Rot. Bonds6

About 2-[3-[5-(2-fluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide

2-[3-[5-(2-fluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 71819548) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-[3-[5-(2-fluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-[3-[5-(2-fluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID71819548
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name2-[3-[5-(2-fluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESNC(=O)c1cccn2cc(-c3cccc(-c4cncc(OCCF)c4)c3)nc12
InChIInChI=1S/C21H17FN4O2/c22-6-8-28-17-10-16(11-24-12-17)14-3-1-4-15(9-14)19-13-26-7-2-5-18(20(23)27)21(26)25-19/h1-5,7,9-13H,6,8H2,(H2,23,27)
InChIKeySHUPBUNINDTYGB-UHFFFAOYSA-N
XLogP3.51
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-fluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 2-[3-[5-(2-fluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide (CID 71819548) is 2-[3-[5-(2-fluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-[3-[5-(2-fluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 2-[3-[5-(2-fluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide is NC(=O)c1cccn2cc(-c3cccc(-c4cncc(OCCF)c4)c3)nc12.
What is the InChIKey of 2-[3-[5-(2-fluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is SHUPBUNINDTYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c22-6-8-28-17-10-16(11-24-12-17)14-3-1-4-15(9-14)19-13-26-7-2-5-18(20(23)27)21(26)25-19/h1-5,7,9-13H,6,8H2,(H2,23,27).
What are the key properties of 2-[3-[5-(2-fluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
2-[3-[5-(2-fluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2-fluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 71819548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).