2-fluoroethyl 2-[6-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate

C16H15FN4O2 — CID 25184008

IUPAC2-fluoroethyl 2-[6-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCNc1ccc(-c2cn3cc(C(=O)OCCF)ccc3n2)cn1
InChIInChI=1S/C16H15FN4O2/c1-18-14-4-2-11(8-19-14)13-10-21-9-12(3-5-15(21)20-13)16(22)23-7-6-17/h2-5,8-10H,6-7H2,1H3,(H,18,19)
InChIKeyZQYRHMGHDFQOQH-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.56
Rot. Bonds5

About 2-fluoroethyl 2-[6-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate

2-fluoroethyl 2-[6-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 25184008) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-fluoroethyl 2-[6-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 2-[6-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID25184008
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name2-fluoroethyl 2-[6-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCNc1ccc(-c2cn3cc(C(=O)OCCF)ccc3n2)cn1
InChIInChI=1S/C16H15FN4O2/c1-18-14-4-2-11(8-19-14)13-10-21-9-12(3-5-15(21)20-13)16(22)23-7-6-17/h2-5,8-10H,6-7H2,1H3,(H,18,19)
InChIKeyZQYRHMGHDFQOQH-UHFFFAOYSA-N
XLogP2.56
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 2-[6-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of 2-fluoroethyl 2-[6-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 25184008) is 2-fluoroethyl 2-[6-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for 2-fluoroethyl 2-[6-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for 2-fluoroethyl 2-[6-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate is CNc1ccc(-c2cn3cc(C(=O)OCCF)ccc3n2)cn1.
What is the InChIKey of 2-fluoroethyl 2-[6-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is ZQYRHMGHDFQOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-18-14-4-2-11(8-19-14)13-10-21-9-12(3-5-15(21)20-13)16(22)23-7-6-17/h2-5,8-10H,6-7H2,1H3,(H,18,19).
What are the key properties of 2-fluoroethyl 2-[6-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate?
2-fluoroethyl 2-[6-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 314.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 2-[6-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 25184008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).