methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate

C17H14FN3O2 — CID 89471867

IUPACmethyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2nc3ccc(F)cn3c2C2CC2)c1
InChIInChI=1S/C17H14FN3O2/c1-23-17(22)12-6-11(7-19-8-12)15-16(10-2-3-10)21-9-13(18)4-5-14(21)20-15/h4-10H,2-3H2,1H3
InChIKeyNVSDSOQBDDMAGQ-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.20
Rot. Bonds3

About methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate

methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate (PubChem CID 89471867) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate
PubChem CID89471867
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Namemethyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2nc3ccc(F)cn3c2C2CC2)c1
InChIInChI=1S/C17H14FN3O2/c1-23-17(22)12-6-11(7-19-8-12)15-16(10-2-3-10)21-9-13(18)4-5-14(21)20-15/h4-10H,2-3H2,1H3
InChIKeyNVSDSOQBDDMAGQ-UHFFFAOYSA-N
XLogP3.20
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate (CID 89471867) is methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate is COC(=O)c1cncc(-c2nc3ccc(F)cn3c2C2CC2)c1.
What is the InChIKey of methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate?
The InChIKey is NVSDSOQBDDMAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-23-17(22)12-6-11(7-19-8-12)15-16(10-2-3-10)21-9-13(18)4-5-14(21)20-15/h4-10H,2-3H2,1H3.
What are the key properties of methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate?
methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate has a molecular weight of 311.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 89471867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).