imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-fluoroanilino)pyridine-3-carboxylate

C20H15FN4O2 — CID 71902290

IUPACimidazo[1,2-a]pyridin-2-ylmethyl 2-(2-fluoroanilino)pyridine-3-carboxylate
SMILESO=C(OCc1cn2ccccc2n1)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C20H15FN4O2/c21-16-7-1-2-8-17(16)24-19-15(6-5-10-22-19)20(26)27-13-14-12-25-11-4-3-9-18(25)23-14/h1-12H,13H2,(H,22,24)
InChIKeyNLCLHPCSAOBGRC-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.97
Rot. Bonds5

About imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-fluoroanilino)pyridine-3-carboxylate

imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-fluoroanilino)pyridine-3-carboxylate (PubChem CID 71902290) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-fluoroanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-ylmethyl 2-(2-fluoroanilino)pyridine-3-carboxylate
PubChem CID71902290
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Nameimidazo[1,2-a]pyridin-2-ylmethyl 2-(2-fluoroanilino)pyridine-3-carboxylate
SMILESO=C(OCc1cn2ccccc2n1)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C20H15FN4O2/c21-16-7-1-2-8-17(16)24-19-15(6-5-10-22-19)20(26)27-13-14-12-25-11-4-3-9-18(25)23-14/h1-12H,13H2,(H,22,24)
InChIKeyNLCLHPCSAOBGRC-UHFFFAOYSA-N
XLogP3.97
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Pyridinecarboxylic acid, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
CID 83435
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Imidazo[1,2-a]pyridine-6-carboxylic acid, 2-(3-aminophenyl)-, methyl ester
CID 3845864
Benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 57384112
Methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate
CID 89471867
Imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate
CID 2999528
methyl 6-(1H-1,3-benzimidazol-1-yl)nicotinate
CID 4298771
Ethyl 4-[[2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetyl]amino]benzoate
CID 16022221
Methyl 3-benzyl-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359030
Methyl 3-[(4-methylphenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359034
Methyl 2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 51359798
Methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299407

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-fluoroanilino)pyridine-3-carboxylate?
The IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-fluoroanilino)pyridine-3-carboxylate (CID 71902290) is imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-fluoroanilino)pyridine-3-carboxylate.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-fluoroanilino)pyridine-3-carboxylate?
The canonical SMILES for imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-fluoroanilino)pyridine-3-carboxylate is O=C(OCc1cn2ccccc2n1)c1cccnc1Nc1ccccc1F.
What is the InChIKey of imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-fluoroanilino)pyridine-3-carboxylate?
The InChIKey is NLCLHPCSAOBGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c21-16-7-1-2-8-17(16)24-19-15(6-5-10-22-19)20(26)27-13-14-12-25-11-4-3-9-18(25)23-14/h1-12H,13H2,(H,22,24).
What are the key properties of imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-fluoroanilino)pyridine-3-carboxylate?
imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-fluoroanilino)pyridine-3-carboxylate has a molecular weight of 362.36 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-fluoroanilino)pyridine-3-carboxylate is sourced from PubChem (CID 71902290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).