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

C17H17FN4O2 — CID 25184006

IUPAC2-fluoroethyl 2-[6-(dimethylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCN(C)c1ccc(-c2cn3cc(C(=O)OCCF)ccc3n2)cn1
InChIInChI=1S/C17H17FN4O2/c1-21(2)15-5-3-12(9-19-15)14-11-22-10-13(4-6-16(22)20-14)17(23)24-8-7-18/h3-6,9-11H,7-8H2,1-2H3
InChIKeyBJMMXIZNFWCPNX-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.59
Rot. Bonds5

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

2-fluoroethyl 2-[6-(dimethylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 25184006) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-fluoroethyl 2-[6-(dimethylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 2-[6-(dimethylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID25184006
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name2-fluoroethyl 2-[6-(dimethylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCN(C)c1ccc(-c2cn3cc(C(=O)OCCF)ccc3n2)cn1
InChIInChI=1S/C17H17FN4O2/c1-21(2)15-5-3-12(9-19-15)14-11-22-10-13(4-6-16(22)20-14)17(23)24-8-7-18/h3-6,9-11H,7-8H2,1-2H3
InChIKeyBJMMXIZNFWCPNX-UHFFFAOYSA-N
XLogP2.59
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 2-[6-(dimethylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of 2-fluoroethyl 2-[6-(dimethylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 25184006) is 2-fluoroethyl 2-[6-(dimethylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for 2-fluoroethyl 2-[6-(dimethylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for 2-fluoroethyl 2-[6-(dimethylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate is CN(C)c1ccc(-c2cn3cc(C(=O)OCCF)ccc3n2)cn1.
What is the InChIKey of 2-fluoroethyl 2-[6-(dimethylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is BJMMXIZNFWCPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-21(2)15-5-3-12(9-19-15)14-11-22-10-13(4-6-16(22)20-14)17(23)24-8-7-18/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 2-fluoroethyl 2-[6-(dimethylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate?
2-fluoroethyl 2-[6-(dimethylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 328.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 2-[6-(dimethylamino)-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 25184006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).