ethyl 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate

C18H15FN4O2 — CID 67002842

IUPACethyl 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(-c3cnc4ccc(F)cn34)nn(C)c2c1
InChIInChI=1S/C18H15FN4O2/c1-3-25-18(24)11-4-6-13-14(8-11)22(2)21-17(13)15-9-20-16-7-5-12(19)10-23(15)16/h4-10H,3H2,1-2H3
InChIKeyBGDHESASUXPVGK-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.20
Rot. Bonds3

About ethyl 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate

ethyl 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate (PubChem CID 67002842) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is ethyl 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate
PubChem CID67002842
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Nameethyl 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(-c3cnc4ccc(F)cn34)nn(C)c2c1
InChIInChI=1S/C18H15FN4O2/c1-3-25-18(24)11-4-6-13-14(8-11)22(2)21-17(13)15-9-20-16-7-5-12(19)10-23(15)16/h4-10H,3H2,1-2H3
InChIKeyBGDHESASUXPVGK-UHFFFAOYSA-N
XLogP3.20
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate?
The IUPAC name of ethyl 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate (CID 67002842) is ethyl 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate.
What is the SMILES notation for ethyl 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate?
The canonical SMILES for ethyl 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate is CCOC(=O)c1ccc2c(-c3cnc4ccc(F)cn34)nn(C)c2c1.
What is the InChIKey of ethyl 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate?
The InChIKey is BGDHESASUXPVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-3-25-18(24)11-4-6-13-14(8-11)22(2)21-17(13)15-9-20-16-7-5-12(19)10-23(15)16/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate?
ethyl 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate has a molecular weight of 338.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylate is sourced from PubChem (CID 67002842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).