ethyl 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate

C18H15FN6O2 — CID 23158266

IUPACethyl 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3nnn(-c4cccnc4F)c3C)ccc2n1
InChIInChI=1S/C18H15FN6O2/c1-3-27-18(26)13-10-24-9-12(6-7-15(24)21-13)16-11(2)25(23-22-16)14-5-4-8-20-17(14)19/h4-10H,3H2,1-2H3
InChIKeyKRSIRGXFJVTPOI-UHFFFAOYSA-N
MW366.36 g/mol
LogP2.60
Rot. Bonds4

About ethyl 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 23158266) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is ethyl 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID23158266
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC Nameethyl 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3nnn(-c4cccnc4F)c3C)ccc2n1
InChIInChI=1S/C18H15FN6O2/c1-3-27-18(26)13-10-24-9-12(6-7-15(24)21-13)16-11(2)25(23-22-16)14-5-4-8-20-17(14)19/h4-10H,3H2,1-2H3
InChIKeyKRSIRGXFJVTPOI-UHFFFAOYSA-N
XLogP2.60
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Related Compounds

2-cyclopropyl-6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridine
CID 11393470
6-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methoxyethyl)imidazo[1,2-a]pyridine
CID 23158258
2-tert-butyl-5-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]isoindol-1-ol
CID 91529488
6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-2-methylisoquinolin-1-one
CID 23158245
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
ethyl 12-fluoro-10-(4-methylphenyl)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene-4-carboxylate
CID 177138721
ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate
CID 138663394
ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 131732205
ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 42878543
5-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-2-(2-methylpropyl)-3H-isoindol-1-one
CID 11772945
ethyl 6-[4-(3-fluoroanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate
CID 168873024
ethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate
CID 168873012

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate (CID 23158266) is ethyl 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(-c3nnn(-c4cccnc4F)c3C)ccc2n1.
What is the InChIKey of ethyl 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is KRSIRGXFJVTPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2/c1-3-27-18(26)13-10-24-9-12(6-7-15(24)21-13)16-11(2)25(23-22-16)14-5-4-8-20-17(14)19/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 366.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 23158266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).