2-ethyl-4-[4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide

C22H19FN4O2 — CID 171537189

IUPAC2-ethyl-4-[4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
SMILESCCc1cc(-c2cc(Oc3cc(F)c4cnn(C)c4c3)ccn2)ccc1C(N)=O
InChIInChI=1S/C22H19FN4O2/c1-3-13-8-14(4-5-17(13)22(24)28)20-10-15(6-7-25-20)29-16-9-19(23)18-12-26-27(2)21(18)11-16/h4-12H,3H2,1-2H3,(H2,24,28)
InChIKeyFHHRCRXGBQIIAH-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.23
Rot. Bonds5

About 2-ethyl-4-[4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide

2-ethyl-4-[4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide (PubChem CID 171537189) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-ethyl-4-[4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-ethyl-4-[4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
PubChem CID171537189
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name2-ethyl-4-[4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
SMILESCCc1cc(-c2cc(Oc3cc(F)c4cnn(C)c4c3)ccn2)ccc1C(N)=O
InChIInChI=1S/C22H19FN4O2/c1-3-13-8-14(4-5-17(13)22(24)28)20-10-15(6-7-25-20)29-16-9-19(23)18-12-26-27(2)21(18)11-16/h4-12H,3H2,1-2H3,(H2,24,28)
InChIKeyFHHRCRXGBQIIAH-UHFFFAOYSA-N
XLogP4.23
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide?
The IUPAC name of 2-ethyl-4-[4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide (CID 171537189) is 2-ethyl-4-[4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide.
What is the SMILES notation for 2-ethyl-4-[4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide?
The canonical SMILES for 2-ethyl-4-[4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide is CCc1cc(-c2cc(Oc3cc(F)c4cnn(C)c4c3)ccn2)ccc1C(N)=O.
What is the InChIKey of 2-ethyl-4-[4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide?
The InChIKey is FHHRCRXGBQIIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-3-13-8-14(4-5-17(13)22(24)28)20-10-15(6-7-25-20)29-16-9-19(23)18-12-26-27(2)21(18)11-16/h4-12H,3H2,1-2H3,(H2,24,28).
What are the key properties of 2-ethyl-4-[4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide?
2-ethyl-4-[4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide has a molecular weight of 390.42 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide is sourced from PubChem (CID 171537189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).