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

C24H21FN4O3 — CID 53330148

IUPAC2-amino-6-(5-fluoro-1-methylindol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cn(C)c4ccc(F)cc34)nc(N)c2C#N)c(OC)c1OC
InChIInChI=1S/C24H21FN4O3/c1-29-12-18(16-9-13(25)5-7-20(16)29)19-10-15(17(11-26)24(27)28-19)14-6-8-21(30-2)23(32-4)22(14)31-3/h5-10,12H,1-4H3,(H2,27,28)
InChIKeyWDFCSUOSDRNOTP-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.53
Rot. Bonds5

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

2-amino-6-(5-fluoro-1-methylindol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 53330148) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-amino-6-(5-fluoro-1-methylindol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(5-fluoro-1-methylindol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID53330148
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name2-amino-6-(5-fluoro-1-methylindol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cn(C)c4ccc(F)cc34)nc(N)c2C#N)c(OC)c1OC
InChIInChI=1S/C24H21FN4O3/c1-29-12-18(16-9-13(25)5-7-20(16)29)19-10-15(17(11-26)24(27)28-19)14-6-8-21(30-2)23(32-4)22(14)31-3/h5-10,12H,1-4H3,(H2,27,28)
InChIKeyWDFCSUOSDRNOTP-UHFFFAOYSA-N
XLogP4.53
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-(5-fluoro-1-methylindol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-fluoro-1-methylindol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(5-fluoro-1-methylindol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile (CID 53330148) is 2-amino-6-(5-fluoro-1-methylindol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(5-fluoro-1-methylindol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(5-fluoro-1-methylindol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3cn(C)c4ccc(F)cc34)nc(N)c2C#N)c(OC)c1OC.
What is the InChIKey of 2-amino-6-(5-fluoro-1-methylindol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is WDFCSUOSDRNOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-29-12-18(16-9-13(25)5-7-20(16)29)19-10-15(17(11-26)24(27)28-19)14-6-8-21(30-2)23(32-4)22(14)31-3/h5-10,12H,1-4H3,(H2,27,28).
What are the key properties of 2-amino-6-(5-fluoro-1-methylindol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(5-fluoro-1-methylindol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 432.46 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-fluoro-1-methylindol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 53330148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).