2-amino-6-(5-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile

C23H19FN4O3 — CID 53328037

IUPAC2-amino-6-(5-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3c[nH]c4ccc(F)cc34)nc(N)c2C#N)c(OC)c1OC
InChIInChI=1S/C23H19FN4O3/c1-29-20-7-5-13(21(30-2)22(20)31-3)14-9-19(28-23(26)16(14)10-25)17-11-27-18-6-4-12(24)8-15(17)18/h4-9,11,27H,1-3H3,(H2,26,28)
InChIKeyNMQXTXZQWKXUCO-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.52
Rot. Bonds5

About 2-amino-6-(5-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(5-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 53328037) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is 2-amino-6-(5-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(5-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID53328037
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC Name2-amino-6-(5-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3c[nH]c4ccc(F)cc34)nc(N)c2C#N)c(OC)c1OC
InChIInChI=1S/C23H19FN4O3/c1-29-20-7-5-13(21(30-2)22(20)31-3)14-9-19(28-23(26)16(14)10-25)17-11-27-18-6-4-12(24)8-15(17)18/h4-9,11,27H,1-3H3,(H2,26,28)
InChIKeyNMQXTXZQWKXUCO-UHFFFAOYSA-N
XLogP4.52
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(5-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile (CID 53328037) is 2-amino-6-(5-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(5-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(5-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3c[nH]c4ccc(F)cc34)nc(N)c2C#N)c(OC)c1OC.
What is the InChIKey of 2-amino-6-(5-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is NMQXTXZQWKXUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-29-20-7-5-13(21(30-2)22(20)31-3)14-9-19(28-23(26)16(14)10-25)17-11-27-18-6-4-12(24)8-15(17)18/h4-9,11,27H,1-3H3,(H2,26,28).
What are the key properties of 2-amino-6-(5-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(5-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 418.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 53328037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).