6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyridine-3-carboxylic acid

C20H17FN4O3 — CID 90310582

IUPAC6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyridine-3-carboxylic acid
SMILESNc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(C(=O)O)cn3)c2F)cn1
InChIInChI=1S/C20H17FN4O3/c21-18-14(15-9-24-16(22)10-23-15)6-5-13(11-2-1-3-11)19(18)28-17-7-4-12(8-25-17)20(26)27/h4-11H,1-3H2,(H2,22,24)(H,26,27)
InChIKeyRXYUMKVDPJZAAU-UHFFFAOYSA-N
MW380.38 g/mol
LogP4.02
Rot. Bonds5

About 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyridine-3-carboxylic acid

6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyridine-3-carboxylic acid (PubChem CID 90310582) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyridine-3-carboxylic acid
PubChem CID90310582
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyridine-3-carboxylic acid
SMILESNc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(C(=O)O)cn3)c2F)cn1
InChIInChI=1S/C20H17FN4O3/c21-18-14(15-9-24-16(22)10-23-15)6-5-13(11-2-1-3-11)19(18)28-17-7-4-12(8-25-17)20(26)27/h4-11H,1-3H2,(H2,22,24)(H,26,27)
InChIKeyRXYUMKVDPJZAAU-UHFFFAOYSA-N
XLogP4.02
TPSA111.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyridine-3-carboxylic acid (CID 90310582) is 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyridine-3-carboxylic acid is Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(C(=O)O)cn3)c2F)cn1.
What is the InChIKey of 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyridine-3-carboxylic acid?
The InChIKey is RXYUMKVDPJZAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c21-18-14(15-9-24-16(22)10-23-15)6-5-13(11-2-1-3-11)19(18)28-17-7-4-12(8-25-17)20(26)27/h4-11H,1-3H2,(H2,22,24)(H,26,27).
What are the key properties of 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyridine-3-carboxylic acid?
6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyridine-3-carboxylic acid has a molecular weight of 380.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 90310582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).